(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine

C13H16N2S — CID 83850515

IUPAC(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)c1nc(CN)sc1-c1ccccc1
InChIInChI=1S/C13H16N2S/c1-9(2)12-13(16-11(8-14)15-12)10-6-4-3-5-7-10/h3-7,9H,8,14H2,1-2H3
InChIKeyHQZXQARJIFBGHW-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.39
Rot. Bonds3

About (5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine

(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 83850515) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine
PubChem CID83850515
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)c1nc(CN)sc1-c1ccccc1
InChIInChI=1S/C13H16N2S/c1-9(2)12-13(16-11(8-14)15-12)10-6-4-3-5-7-10/h3-7,9H,8,14H2,1-2H3
InChIKeyHQZXQARJIFBGHW-UHFFFAOYSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
CID 84606541
2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile
CID 82483133
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 154194483
[2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 65093679
(2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine
CID 64715397
[2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82434343
(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine
CID 133060775
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 23010437
[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106665
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82433800
N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 64715193
[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361556

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine (CID 83850515) is (5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine is CC(C)c1nc(CN)sc1-c1ccccc1.
What is the InChIKey of (5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is HQZXQARJIFBGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9(2)12-13(16-11(8-14)15-12)10-6-4-3-5-7-10/h3-7,9H,8,14H2,1-2H3.
What are the key properties of (5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 232.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 83850515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).