5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine

C13H16N2S — CID 91609716

IUPAC5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1CCCc1ccccc1
InChIInChI=1S/C13H16N2S/c1-10-12(15-13(14)16-10)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H2,14,15)
InChIKeyHEOUMESVPPAQGE-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.21
Rot. Bonds4

About 5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine

5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine (PubChem CID 91609716) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine
PubChem CID91609716
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1CCCc1ccccc1
InChIInChI=1S/C13H16N2S/c1-10-12(15-13(14)16-10)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H2,14,15)
InChIKeyHEOUMESVPPAQGE-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide
CID 141313794
5-(3,4-dimethylphenyl)-4-(2-phenylethyl)-1,3-thiazol-2-amine
CID 156849333
1,4-bis(3-phenylpropyl)benzene
CID 59467322
methane;4-phenylbutylbenzene
CID 173386802
CID 159131095
CID 159131095
CID 24746170
CID 24746170
4-pentyl-5-(3-phenylpropyl)-1H-imidazol-2-amine
CID 46850530
4-phenylbutylbenzene
CID 141301927
4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine
CID 88924616
5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 509248
5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
CID 142193708
6-methyl-2-(2-phenylethyl)pyridin-3-amine
CID 161474326

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine (CID 91609716) is 5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine is Cc1sc(N)nc1CCCc1ccccc1.
What is the InChIKey of 5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine?
The InChIKey is HEOUMESVPPAQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-12(15-13(14)16-10)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H2,14,15).
What are the key properties of 5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine?
5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-phenylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 91609716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).