4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol

C15H12ClN3OS — CID 177179832

IUPAC4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1csc(Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C15H12ClN3OS/c1-9-6-11(20)3-4-12(9)13-8-21-15(18-13)19-14-5-2-10(16)7-17-14/h2-8,20H,1H3,(H,17,18,19)
InChIKeyZIUQKZFWRDJMMC-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.62
Rot. Bonds3

About 4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol

4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol (PubChem CID 177179832) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol
PubChem CID177179832
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1csc(Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C15H12ClN3OS/c1-9-6-11(20)3-4-12(9)13-8-21-15(18-13)19-14-5-2-10(16)7-17-14/h2-8,20H,1H3,(H,17,18,19)
InChIKeyZIUQKZFWRDJMMC-UHFFFAOYSA-N
XLogP4.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine
CID 177179834
N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 973178
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol
CID 972909
5-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-3H-1,3-thiazol-2-one
CID 177179751
[4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl] acetate
CID 973042
2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid
CID 82030624
N-(5-chloro-2-pyridinyl)-4-(4-propyl-2,3-dihydro-1,3-thiazol-5-yl)-1,3-thiazol-2-amine;ethane
CID 177179695
3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol
CID 2215270
4-(5-chloro-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 170674867
N-(5-chloro-2-pyridinyl)-4-pyrazol-1-yl-1,3-thiazol-2-amine
CID 122192418
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
4-chloro-N-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]benzamide
CID 121476942

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol?
The IUPAC name of 4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol (CID 177179832) is 4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol.
What is the SMILES notation for 4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol?
The canonical SMILES for 4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol is Cc1cc(O)ccc1-c1csc(Nc2ccc(Cl)cn2)n1.
What is the InChIKey of 4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol?
The InChIKey is ZIUQKZFWRDJMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-9-6-11(20)3-4-12(9)13-8-21-15(18-13)19-14-5-2-10(16)7-17-14/h2-8,20H,1H3,(H,17,18,19).
What are the key properties of 4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol?
4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol has a molecular weight of 317.80 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl]-3-methylphenol is sourced from PubChem (CID 177179832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).