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

C13H14ClN3O2S — CID 107061996

IUPAC3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1nc(C)c(C(C)Nc2nccc(C(=O)O)c2Cl)s1
InChIInChI=1S/C13H14ClN3O2S/c1-6-11(20-8(3)16-6)7(2)17-12-10(14)9(13(18)19)4-5-15-12/h4-5,7H,1-3H3,(H,15,17)(H,18,19)
InChIKeyLAYGNGPKIKSMKP-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.68
Rot. Bonds4

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

3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 107061996) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
PubChem CID107061996
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCc1nc(C)c(C(C)Nc2nccc(C(=O)O)c2Cl)s1
InChIInChI=1S/C13H14ClN3O2S/c1-6-11(20-8(3)16-6)7(2)17-12-10(14)9(13(18)19)4-5-15-12/h4-5,7H,1-3H3,(H,15,17)(H,18,19)
InChIKeyLAYGNGPKIKSMKP-UHFFFAOYSA-N
XLogP3.68
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062092
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbenzoic acid
CID 107111939
5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid
CID 114405911
3-chloro-2-(pent-4-yn-2-ylamino)pyridine-4-carboxylic acid
CID 107063005
3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 107062716
5-chloro-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80807513
3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131874
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine
CID 63752258
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939708
4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3,5-difluorobenzoic acid
CID 63185492
5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxamide
CID 114405909

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid (CID 107061996) is 3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid is Cc1nc(C)c(C(C)Nc2nccc(C(=O)O)c2Cl)s1.
What is the InChIKey of 3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is LAYGNGPKIKSMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-6-11(20-8(3)16-6)7(2)17-12-10(14)9(13(18)19)4-5-15-12/h4-5,7H,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid?
3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 311.79 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107061996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).