N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine

C15H12ClN3S — CID 2214320

IUPACN-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccncc3)cs2)cc1Cl
InChIInChI=1S/C15H12ClN3S/c1-10-2-3-12(8-13(10)16)18-15-19-14(9-20-15)11-4-6-17-7-5-11/h2-9H,1H3,(H,18,19)
InChIKeyLFLKZJWYYHFKQB-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.91
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine

N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 2214320) has the molecular formula C15H12ClN3S and a molecular weight of 301.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID2214320
Molecular FormulaC15H12ClN3S
Molecular Weight301.80 g/mol
Exact Mass301.04
IUPAC NameN-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccncc3)cs2)cc1Cl
InChIInChI=1S/C15H12ClN3S/c1-10-2-3-12(8-13(10)16)18-15-19-14(9-20-15)11-4-6-17-7-5-11/h2-9H,1H3,(H,18,19)
InChIKeyLFLKZJWYYHFKQB-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23804659
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307
N-(3-chloro-4-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 19132871
4-chloro-N-(3-chloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152094
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
4-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,4-diamine bromide
CID 53346790
4-ethyl-1-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059246
4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059283
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 2214320) is N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3ccncc3)cs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is LFLKZJWYYHFKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3S/c1-10-2-3-12(8-13(10)16)18-15-19-14(9-20-15)11-4-6-17-7-5-11/h2-9H,1H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 301.80 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 2214320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).