2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide

C18H20N4O3S — CID 91772229

IUPAC2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cn2cc(C(=O)N[C@@H]3COCC[C@@H]3OCc3cscn3)ccc2n1
InChIInChI=1S/C18H20N4O3S/c1-12-6-22-7-13(2-3-17(22)20-12)18(23)21-15-9-24-5-4-16(15)25-8-14-10-26-11-19-14/h2-3,6-7,10-11,15-16H,4-5,8-9H2,1H3,(H,21,23)/t15-,16+/m1/s1
InChIKeyCHMSUKYGAFLGBX-CVEARBPZSA-N
MW372.45 g/mol
LogP2.20
Rot. Bonds5

About 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide

2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 91772229) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID91772229
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cn2cc(C(=O)N[C@@H]3COCC[C@@H]3OCc3cscn3)ccc2n1
InChIInChI=1S/C18H20N4O3S/c1-12-6-22-7-13(2-3-17(22)20-12)18(23)21-15-9-24-5-4-16(15)25-8-14-10-26-11-19-14/h2-3,6-7,10-11,15-16H,4-5,8-9H2,1H3,(H,21,23)/t15-,16+/m1/s1
InChIKeyCHMSUKYGAFLGBX-CVEARBPZSA-N
XLogP2.20
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 91772229) is 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1cn2cc(C(=O)N[C@@H]3COCC[C@@H]3OCc3cscn3)ccc2n1.
What is the InChIKey of 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is CHMSUKYGAFLGBX-CVEARBPZSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12-6-22-7-13(2-3-17(22)20-12)18(23)21-15-9-24-5-4-16(15)25-8-14-10-26-11-19-14/h2-3,6-7,10-11,15-16H,4-5,8-9H2,1H3,(H,21,23)/t15-,16+/m1/s1.
What are the key properties of 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide?
2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 91772229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).