2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine

C12H13ClN2S — CID 145049362

IUPAC2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine
SMILESCC(C)c1cc(-c2nc(N)cs2)ccc1Cl
InChIInChI=1S/C12H13ClN2S/c1-7(2)9-5-8(3-4-10(9)13)12-15-11(14)6-16-12/h3-7H,14H2,1-2H3
InChIKeyCXSWZDOCVSJABH-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.17
Rot. Bonds2

About 2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine

2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine (PubChem CID 145049362) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine
PubChem CID145049362
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine
SMILESCC(C)c1cc(-c2nc(N)cs2)ccc1Cl
InChIInChI=1S/C12H13ClN2S/c1-7(2)9-5-8(3-4-10(9)13)12-15-11(14)6-16-12/h3-7H,14H2,1-2H3
InChIKeyCXSWZDOCVSJABH-UHFFFAOYSA-N
XLogP4.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methylphenyl)-1,3-thiazol-4-amine
CID 107916044
2-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-4-amine
CID 116864233
2-(5-bromo-2-chlorophenyl)-1,3-thiazol-4-amine
CID 130836009
1-[2-(3-bromo-4-chlorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 115568091
2-(3-chloro-4-methylphenyl)-4-propan-2-yl-1,3-thiazole
CID 165458129
2-(6-iodo-3-pyridinyl)-1,3-thiazol-4-amine
CID 135232785
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-amine
CID 116864191
ethane;2-(6-ethyl-3-pyridinyl)-1,3-thiazol-4-amine
CID 143780879
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 177178454
7-(4-amino-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 163359622
2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28541006
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine (CID 145049362) is 2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine is CC(C)c1cc(-c2nc(N)cs2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine?
The InChIKey is CXSWZDOCVSJABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-7(2)9-5-8(3-4-10(9)13)12-15-11(14)6-16-12/h3-7H,14H2,1-2H3.
What are the key properties of 2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine?
2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine has a molecular weight of 252.77 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-propan-2-ylphenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 145049362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).