N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine

C16H15ClN4S — CID 177179834

IUPACN-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine
SMILESCNc1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)c(C)c1
InChIInChI=1S/C16H15ClN4S/c1-10-7-12(18-2)4-5-13(10)14-9-22-16(20-14)21-15-6-3-11(17)8-19-15/h3-9,18H,1-2H3,(H,19,20,21)
InChIKeyOTSQOTPFDIUCAL-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.95
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine

N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine (PubChem CID 177179834) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine
PubChem CID177179834
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC NameN-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine
SMILESCNc1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)c(C)c1
InChIInChI=1S/C16H15ClN4S/c1-10-7-12(18-2)4-5-13(10)14-9-22-16(20-14)21-15-6-3-11(17)8-19-15/h3-9,18H,1-2H3,(H,19,20,21)
InChIKeyOTSQOTPFDIUCAL-UHFFFAOYSA-N
XLogP4.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol
CID 177179832
N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 973178
5-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-3H-1,3-thiazol-2-one
CID 177179751
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate
CID 973042
4-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 82059186
2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid
CID 82030624
4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 86657697
N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane
CID 177179695
4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide
CID 121476942
4-(5-chloro-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 170674867
4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine
CID 87311082

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine (CID 177179834) is N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine is CNc1ccc(-c2csc(Nc3ccc(Cl)cn3)n2)c(C)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine?
The InChIKey is OTSQOTPFDIUCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S/c1-10-7-12(18-2)4-5-13(10)14-9-22-16(20-14)21-15-6-3-11(17)8-19-15/h3-9,18H,1-2H3,(H,19,20,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine?
N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine has a molecular weight of 330.84 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 177179834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).