N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine

C13H16N2S — CID 177016308

IUPACN-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)Cc1ccc(Nc2nccs2)cc1
InChIInChI=1S/C13H16N2S/c1-10(2)9-11-3-5-12(6-4-11)15-13-14-7-8-16-13/h3-8,10H,9H2,1-2H3,(H,14,15)
InChIKeySMWNIDCYJJCFPR-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.09
Rot. Bonds4

About N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine

N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 177016308) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
PubChem CID177016308
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)Cc1ccc(Nc2nccs2)cc1
InChIInChI=1S/C13H16N2S/c1-10(2)9-11-3-5-12(6-4-11)15-13-14-7-8-16-13/h3-8,10H,9H2,1-2H3,(H,14,15)
InChIKeySMWNIDCYJJCFPR-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine
CID 63759016
N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 89458948
ethyl 2-[4-(1,3-thiazol-2-ylamino)phenyl]propanoate
CID 21440022
N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine
CID 79046617
N-methyl-4-[2-(1,3-thiazol-2-yl)propyl]aniline
CID 90392146
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
CID 164658462
2-[5-(2-methylpropyl)-2-pyridinyl]-1,3-thiazole
CID 20771962
N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 2058270
N-methyl-4-[3-methyl-2-(1,3-thiazol-2-yl)butyl]aniline
CID 123699768
N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 87538093
N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine
CID 87964045

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine (CID 177016308) is N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine is CC(C)Cc1ccc(Nc2nccs2)cc1.
What is the InChIKey of N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is SMWNIDCYJJCFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10(2)9-11-3-5-12(6-4-11)15-13-14-7-8-16-13/h3-8,10H,9H2,1-2H3,(H,14,15).
What are the key properties of N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine?
N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 177016308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).