2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid

C13H14N4O3S — CID 114325221

IUPAC2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid
SMILESCc1ncc(CNC(=O)NCc2cc(C(=O)O)ccn2)s1
InChIInChI=1S/C13H14N4O3S/c1-8-15-6-11(21-8)7-17-13(20)16-5-10-4-9(12(18)19)2-3-14-10/h2-4,6H,5,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyIGWICCDPYCUCCF-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.54
Rot. Bonds5

About 2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid

2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid (PubChem CID 114325221) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid
PubChem CID114325221
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid
SMILESCc1ncc(CNC(=O)NCc2cc(C(=O)O)ccn2)s1
InChIInChI=1S/C13H14N4O3S/c1-8-15-6-11(21-8)7-17-13(20)16-5-10-4-9(12(18)19)2-3-14-10/h2-4,6H,5,7H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyIGWICCDPYCUCCF-UHFFFAOYSA-N
XLogP1.54
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325404
2-[(pyridin-4-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325097
2-[(1,2-oxazol-5-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 106421045
2-[(furan-2-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325057
2-[[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 106403853
2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325098
2-[(butan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277661
2-[(2-methylsulfanylpropylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113466776
2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324451
2-[(pentan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277665
4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 60941885

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid (CID 114325221) is 2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid is Cc1ncc(CNC(=O)NCc2cc(C(=O)O)ccn2)s1.
What is the InChIKey of 2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid?
The InChIKey is IGWICCDPYCUCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-8-15-6-11(21-8)7-17-13(20)16-5-10-4-9(12(18)19)2-3-14-10/h2-4,6H,5,7H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid?
2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid has a molecular weight of 306.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114325221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).