3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine

C13H16N2S — CID 116965041

IUPAC3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(CCN)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H16N2S/c1-10(7-8-14)13-15-12(9-16-13)11-5-3-2-4-6-11/h2-6,9-10H,7-8,14H2,1H3
InChIKeyRWNDOQPFAWNHPS-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.26
Rot. Bonds4

About 3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine

3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (PubChem CID 116965041) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
PubChem CID116965041
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
SMILESCC(CCN)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H16N2S/c1-10(7-8-14)13-15-12(9-16-13)11-5-3-2-4-6-11/h2-6,9-10H,7-8,14H2,1H3
InChIKeyRWNDOQPFAWNHPS-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965067
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965066
3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965075
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965045
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butan-1-ol
CID 116967334
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621
[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63717442
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116967222
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
CID 21478143
(2R)-1-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
CID 67771453

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The IUPAC name of 3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine (CID 116965041) is 3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The canonical SMILES for 3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is CC(CCN)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
The InChIKey is RWNDOQPFAWNHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10(7-8-14)13-15-12(9-16-13)11-5-3-2-4-6-11/h2-6,9-10H,7-8,14H2,1H3.
What are the key properties of 3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine?
3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine has a molecular weight of 232.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine is sourced from PubChem (CID 116965041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).