4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine

C12H13ClN2S — CID 82106721

IUPAC4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1sc(N)nc1-c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2S/c1-7(2)11-10(15-12(14)16-11)8-4-3-5-9(13)6-8/h3-7H,1-2H3,(H2,14,15)
InChIKeyVNOFLUIVERZNNL-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.17
Rot. Bonds2

About 4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine

4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 82106721) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID82106721
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1sc(N)nc1-c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2S/c1-7(2)11-10(15-12(14)16-11)8-4-3-5-9(13)6-8/h3-7H,1-2H3,(H2,14,15)
InChIKeyVNOFLUIVERZNNL-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

4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 82106741
4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 28864558
5-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 82106824
2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 16658823
5-(4-chlorophenoxy)-4-(3-chlorophenyl)-1,3-thiazol-2-amine
CID 88924571
4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 28864528
2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole
CID 160973028
5-(3-chlorophenyl)-4-thiophen-3-yl-1,3-thiazol-2-amine
CID 82106545
1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 43649836
4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine
CID 82296144
2-(3-chlorophenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62191035
[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
CID 88566066

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine (CID 82106721) is 4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1sc(N)nc1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is VNOFLUIVERZNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-7(2)11-10(15-12(14)16-11)8-4-3-5-9(13)6-8/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-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 4-(3-chlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82106721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).