[(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid

C38H50N10O10S2 — CID 175968140

About [(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid

[(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid (PubChem CID 175968140) has the molecular formula C38H50N10O10S2 and a molecular weight of 871.01 g/mol. Its IUPAC name is [(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid.

Molecular Properties

• Compound Name: [(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid
• PubChem CID: 175968140
• Molecular Formula: C38H50N10O10S2
• Molecular Weight: 871.01 g/mol
• Exact Mass: 870.32
• IUPAC Name: [(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid
• SMILES: COCc1cc(C(=O)Nc2ncc([C@@H]3C[C@H](OC(=O)NC4(C)CC4)CO3)s2)n(C)n1.COCc1cc(C(=O)Nc2ncc([C@H]3C[C@@H](N(C(=O)O)C4(C)CC4)CO3)s2)n(C)n1
• InChI: InChI=1S/2C19H25N5O5S/c1-19(4-5-19)22-18(26)29-12-7-14(28-10-12)15-8-20-17(30-15)21-16(25)13-6-11(9-27-3)23-24(13)2;1-19(4-5-19)24(18(26)27)12-7-14(29-10-12)15-8-20-17(30-15)21-16(25)13-6-11(9-28-3)22-23(13)2/h6,8,12,14H,4-5,7,9-10H2,1-3H3,(H,22,26)(H,20,21,25);6,8,12,14H,4-5,7,9-10H2,1-3H3,(H,26,27)(H,20,21,25)/t2*12-,14-/m01/s1
• InChIKey: JGFJLNMMSMOMTP-UOVBHVLCSA-N
• XLogP: 5.02
• TPSA: 235.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	871.01
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid?

The IUPAC name of [(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid (CID 175968140) is [(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid.

What is the SMILES notation for [(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid?

The canonical SMILES for [(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid is COCc1cc(C(=O)Nc2ncc([C@@H]3C[C@H](OC(=O)NC4(C)CC4)CO3)s2)n(C)n1.COCc1cc(C(=O)Nc2ncc([C@H]3C[C@@H](N(C(=O)O)C4(C)CC4)CO3)s2)n(C)n1.

What is the InChIKey of [(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid?

The InChIKey is JGFJLNMMSMOMTP-UOVBHVLCSA-N. The full InChI is InChI=1S/2C19H25N5O5S/c1-19(4-5-19)22-18(26)29-12-7-14(28-10-12)15-8-20-17(30-15)21-16(25)13-6-11(9-27-3)23-24(13)2;1-19(4-5-19)24(18(26)27)12-7-14(29-10-12)15-8-20-17(30-15)21-16(25)13-6-11(9-28-3)22-23(13)2/h6,8,12,14H,4-5,7,9-10H2,1-3H3,(H,22,26)(H,20,21,25);6,8,12,14H,4-5,7,9-10H2,1-3H3,(H,26,27)(H,20,21,25)/t2*12-,14-/m01/s1.

What are the key properties of [(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid?

[(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid has a molecular weight of 871.01 g/mol, XLogP of 5.02, 14 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate;[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid is sourced from PubChem (CID 175968140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).