4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine

C16H14ClN3OS — CID 87311082

IUPAC4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(Cl)cc2-c2ccc(OC)nc2)cs1
InChIInChI=1S/C16H14ClN3OS/c1-18-16-20-14(9-22-16)12-5-4-11(17)7-13(12)10-3-6-15(21-2)19-8-10/h3-9H,1-2H3,(H,18,20)
InChIKeyCRQSSAMILIYREP-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.58
Rot. Bonds4

About 4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine

4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 87311082) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID87311082
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(Cl)cc2-c2ccc(OC)nc2)cs1
InChIInChI=1S/C16H14ClN3OS/c1-18-16-20-14(9-22-16)12-5-4-11(17)7-13(12)10-3-6-15(21-2)19-8-10/h3-9H,1-2H3,(H,18,20)
InChIKeyCRQSSAMILIYREP-UHFFFAOYSA-N
XLogP4.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole
CID 175271280
4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 86657697
[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methanamine
CID 66159518
4-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-amine
CID 124927933
N-[[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methyl]propan-2-amine
CID 66159713
4-(6-chloro-2-methylquinolin-4-yl)-N-methyl-1,3-thiazol-2-amine
CID 82449132
5-(4-chlorophenyl)-2-methoxypyridine;ethane
CID 143906878
methyl 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]acetate
CID 15458625
N-(5-chloro-2-pyridinyl)-4-[2-methyl-4-(methylamino)phenyl]-1,3-thiazol-2-amine
CID 177179834
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4181945
N-methyl-4-[2-[2-[2-[2-(methylamino)-1,3-thiazol-4-yl]phenoxy]ethoxy]phenyl]-1,3-thiazol-2-amine
CID 139228012

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine (CID 87311082) is 4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2ccc(Cl)cc2-c2ccc(OC)nc2)cs1.
What is the InChIKey of 4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is CRQSSAMILIYREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-18-16-20-14(9-22-16)12-5-4-11(17)7-13(12)10-3-6-15(21-2)19-8-10/h3-9H,1-2H3,(H,18,20).
What are the key properties of 4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine?
4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 331.83 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87311082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).