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

C19H25N5O5S — CID 164879609

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

[(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164879609) has the molecular formula C19H25N5O5S and a molecular weight of 435.51 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.

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
• PubChem CID: 164879609
• Molecular Formula: C19H25N5O5S
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.16
• 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
• SMILES: COCc1cc(C(=O)Nc2ncc([C@@H]3C[C@H](OC(=O)NC4(C)CC4)CO3)s2)n(C)n1
• InChI: InChI=1S/C19H25N5O5S/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/h6,8,12,14H,4-5,7,9-10H2,1-3H3,(H,22,26)(H,20,21,25)/t12-,14-/m0/s1
• InChIKey: AEYPLYIJYVGVQK-JSGCOSHPSA-N
• XLogP: 2.38
• TPSA: 116.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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?

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 (CID 164879609) is [(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

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?

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 is COCc1cc(C(=O)Nc2ncc([C@@H]3C[C@H](OC(=O)NC4(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?

The InChIKey is AEYPLYIJYVGVQK-JSGCOSHPSA-N. The full InChI is InChI=1S/C19H25N5O5S/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/h6,8,12,14H,4-5,7,9-10H2,1-3H3,(H,22,26)(H,20,21,25)/t12-,14-/m0/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?

[(3S,5S)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 435.51 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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 is sourced from PubChem (CID 164879609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).