4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid

C14H15N3O3S — CID 120550709

IUPAC4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCC(CN(C)C(=O)c1ccnc(C(=O)O)c1)c1nccs1
InChIInChI=1S/C14H15N3O3S/c1-9(12-16-5-6-21-12)8-17(2)13(18)10-3-4-15-11(7-10)14(19)20/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyMOLVNRSKSFSLGI-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.11
Rot. Bonds5

About 4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid

4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 120550709) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID120550709
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCC(CN(C)C(=O)c1ccnc(C(=O)O)c1)c1nccs1
InChIInChI=1S/C14H15N3O3S/c1-9(12-16-5-6-21-12)8-17(2)13(18)10-3-4-15-11(7-10)14(19)20/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyMOLVNRSKSFSLGI-UHFFFAOYSA-N
XLogP2.11
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[methyl-[2-(1,3-thiazol-2-yl)propyl]amino]-3-oxopropyl]benzoic acid
CID 120550700
N,3-dimethyl-4-morpholin-4-yl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 166239851
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730250
4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730263
1-methyl-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97350993
4-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 113352920
4-[methyl(pentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 112703111
4-[2-methoxyethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112555193
3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]urea
CID 84600514
2-[methyl(2-methylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055655
4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730122
4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 115910403

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid (CID 120550709) is 4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid is CC(CN(C)C(=O)c1ccnc(C(=O)O)c1)c1nccs1.
What is the InChIKey of 4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is MOLVNRSKSFSLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9(12-16-5-6-21-12)8-17(2)13(18)10-3-4-15-11(7-10)14(19)20/h3-7,9H,8H2,1-2H3,(H,19,20).
What are the key properties of 4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid?
4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 120550709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).