2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

C14H16ClN3O2S — CID 111484909

IUPAC2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCC1(O)CCSCC1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C14H16ClN3O2S/c15-12-11(18-6-2-1-3-10(18)17-12)13(19)16-9-14(20)4-7-21-8-5-14/h1-3,6,20H,4-5,7-9H2,(H,16,19)
InChIKeyWEHKAGNZFFMALP-UHFFFAOYSA-N
MW325.82 g/mol
LogP1.98
Rot. Bonds3

About 2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 111484909) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID111484909
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCC1(O)CCSCC1)c1c(Cl)nc2ccccn12
InChIInChI=1S/C14H16ClN3O2S/c15-12-11(18-6-2-1-3-10(18)17-12)13(19)16-9-14(20)4-7-21-8-5-14/h1-3,6,20H,4-5,7-9H2,(H,16,19)
InChIKeyWEHKAGNZFFMALP-UHFFFAOYSA-N
XLogP1.98
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111331161
3,6-dichloro-N-[(4-hydroxythian-4-yl)methyl]pyridine-2-carboxamide
CID 111484832
2-chloro-N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 111460280
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78897228
2-bromo-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 71989703
2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl 4-tert-butylbenzoate
CID 2349289
N-[(4-hydroxythian-4-yl)methyl]-2-indol-1-ylacetamide
CID 71989714
N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579
2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484750
3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid
CID 99781385
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484978
2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 111484909) is 2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCC1(O)CCSCC1)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WEHKAGNZFFMALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c15-12-11(18-6-2-1-3-10(18)17-12)13(19)16-9-14(20)4-7-21-8-5-14/h1-3,6,20H,4-5,7-9H2,(H,16,19).
What are the key properties of 2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 325.82 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 111484909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).