2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

C15H14ClN3O4S — CID 120527118

IUPAC2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(NCc1nc(C(=O)O)cs1)c1cnc(OCC2CC2)c(Cl)c1
InChIInChI=1S/C15H14ClN3O4S/c16-10-3-9(4-18-14(10)23-6-8-1-2-8)13(20)17-5-12-19-11(7-24-12)15(21)22/h3-4,7-8H,1-2,5-6H2,(H,17,20)(H,21,22)
InChIKeyHCWWLKRFZSGGSV-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.61
Rot. Bonds7

About 2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 120527118) has the molecular formula C15H14ClN3O4S and a molecular weight of 367.81 g/mol. Its IUPAC name is 2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID120527118
Molecular FormulaC15H14ClN3O4S
Molecular Weight367.81 g/mol
Exact Mass367.04
IUPAC Name2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(NCc1nc(C(=O)O)cs1)c1cnc(OCC2CC2)c(Cl)c1
InChIInChI=1S/C15H14ClN3O4S/c16-10-3-9(4-18-14(10)23-6-8-1-2-8)13(20)17-5-12-19-11(7-24-12)15(21)22/h3-4,7-8H,1-2,5-6H2,(H,17,20)(H,21,22)
InChIKeyHCWWLKRFZSGGSV-UHFFFAOYSA-N
XLogP2.61
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

5-chloro-6-(cyclopropylmethoxy)-N-methylpyridine-3-carboxamide
CID 75503604
4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid
CID 120537180
2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245161
2-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380513
2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 166178694
2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379482
2-[(cyclobutylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379771
2-[[(3-cyclopentyloxy-4-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527073
2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120701921
2-[2-(cyclobutylmethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374104
2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381423
2-[[(4,6-dimethoxypyrimidine-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527049

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 120527118) is 2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is O=C(NCc1nc(C(=O)O)cs1)c1cnc(OCC2CC2)c(Cl)c1.
What is the InChIKey of 2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HCWWLKRFZSGGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4S/c16-10-3-9(4-18-14(10)23-6-8-1-2-8)13(20)17-5-12-19-11(7-24-12)15(21)22/h3-4,7-8H,1-2,5-6H2,(H,17,20)(H,21,22).
What are the key properties of 2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 367.81 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 120527118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).