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

C19H25N5O5S — CID 175968115

IUPAC[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid
SMILESCOCc1cc(C(=O)Nc2ncc([C@H]3C[C@@H](N(C(=O)O)C4(C)CC4)CO3)s2)n(C)n1
InChIInChI=1S/C19H25N5O5S/c1-19(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,26,27)(H,20,21,25)/t12-,14-/m1/s1
InChIKeyPQXJZJOJHKHMME-TZMCWYRMSA-N
MW435.51 g/mol
LogP2.64
Rot. Bonds7

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

[(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 175968115) has the molecular formula C19H25N5O5S and a molecular weight of 435.51 g/mol. Its IUPAC name is [(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[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid
PubChem CID175968115
Molecular FormulaC19H25N5O5S
Molecular Weight435.51 g/mol
Exact Mass435.16
IUPAC Name[(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid
SMILESCOCc1cc(C(=O)Nc2ncc([C@H]3C[C@@H](N(C(=O)O)C4(C)CC4)CO3)s2)n(C)n1
InChIInChI=1S/C19H25N5O5S/c1-19(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,26,27)(H,20,21,25)/t12-,14-/m1/s1
InChIKeyPQXJZJOJHKHMME-TZMCWYRMSA-N
XLogP2.64
TPSA118.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(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 [(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid (CID 175968115) is [(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 [(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 [(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](N(C(=O)O)C4(C)CC4)CO3)s2)n(C)n1.
What is the InChIKey of [(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 PQXJZJOJHKHMME-TZMCWYRMSA-N. The full InChI is InChI=1S/C19H25N5O5S/c1-19(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,26,27)(H,20,21,25)/t12-,14-/m1/s1.
What are the key properties of [(3R,5R)-5-[2-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1,3-thiazol-5-yl]oxolan-3-yl]-(1-methylcyclopropyl)carbamic acid?
[(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 435.51 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 175968115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).