6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

C14H15N3O3S — CID 61073901

IUPAC6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(C)c(C(C)NC(=O)c2ccc(C(=O)O)cn2)s1
InChIInChI=1S/C14H15N3O3S/c1-7-12(21-9(3)16-7)8(2)17-13(18)11-5-4-10(6-15-11)14(19)20/h4-6,8H,1-3H3,(H,17,18)(H,19,20)
InChIKeyQSKSHXLTUNXBJD-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.34
Rot. Bonds4

About 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid

6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 61073901) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID61073901
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(C)c(C(C)NC(=O)c2ccc(C(=O)O)cn2)s1
InChIInChI=1S/C14H15N3O3S/c1-7-12(21-9(3)16-7)8(2)17-13(18)11-5-4-10(6-15-11)14(19)20/h4-6,8H,1-3H3,(H,17,18)(H,19,20)
InChIKeyQSKSHXLTUNXBJD-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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 51094948
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355
4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192187
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 61149421
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 62174107
6-(cyclopropylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 94668559
6-(1-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 62845141
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
3-amino-4-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192619
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 61193208
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085
6-[1-(furan-2-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 43429242

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid (CID 61073901) is 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is Cc1nc(C)c(C(C)NC(=O)c2ccc(C(=O)O)cn2)s1.
What is the InChIKey of 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is QSKSHXLTUNXBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-7-12(21-9(3)16-7)8(2)17-13(18)11-5-4-10(6-15-11)14(19)20/h4-6,8H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid?
6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-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 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 61073901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).