4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid

C14H15N3O3S — CID 120537651

IUPAC4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1cccnc1C(=O)NC(C)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C14H15N3O3S/c1-7-5-4-6-15-10(7)12(18)16-9(3)13-17-8(2)11(21-13)14(19)20/h4-6,9H,1-3H3,(H,16,18)(H,19,20)
InChIKeyRXAGPDADNMLTTO-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.34
Rot. Bonds4

About 4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 120537651) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID120537651
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1cccnc1C(=O)NC(C)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C14H15N3O3S/c1-7-5-4-6-15-10(7)12(18)16-9(3)13-17-8(2)11(21-13)14(19)20/h4-6,9H,1-3H3,(H,16,18)(H,19,20)
InChIKeyRXAGPDADNMLTTO-UHFFFAOYSA-N
XLogP2.34
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 75518239
2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537583
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 138057892
(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
2-[1-(1H-indole-5-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 86784879
(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 94402027
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
3-methyl-N-[1-(5-methyl-2-pyridinyl)ethyl]pyridine-2-carboxamide
CID 91771821
2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537730
4-methyl-2-[1-[(3-methyl-5-nitrobenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 120689835

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid (CID 120537651) is 4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid is Cc1cccnc1C(=O)NC(C)c1nc(C)c(C(=O)O)s1.
What is the InChIKey of 4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is RXAGPDADNMLTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-7-5-4-6-15-10(7)12(18)16-9(3)13-17-8(2)11(21-13)14(19)20/h4-6,9H,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 120537651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).