5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine

C13H15ClN2S — CID 116812281

IUPAC5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1ncc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C13H15ClN2S/c1-9(2)7-15-13-16-8-12(17-13)10-4-3-5-11(14)6-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyRQGNXFREEQNYBR-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.53
Rot. Bonds4

About 5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine

5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 116812281) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID116812281
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCC(C)CNc1ncc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C13H15ClN2S/c1-9(2)7-15-13-16-8-12(17-13)10-4-3-5-11(14)6-10/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyRQGNXFREEQNYBR-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812351
5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812335
5-(3,5-dichlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116812059
5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 30932079
5-(3-chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 141303955
N-(2-methylpropyl)-5-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 116812361
5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812125
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53271603
5-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 33347592
5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812252
3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033062
5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 44553774

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 116812281) is 5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine is CC(C)CNc1ncc(-c2cccc(Cl)c2)s1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is RQGNXFREEQNYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-9(2)7-15-13-16-8-12(17-13)10-4-3-5-11(14)6-10/h3-6,8-9H,7H2,1-2H3,(H,15,16).
What are the key properties of 5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 266.80 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116812281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).