[2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine

C17H22N2S — CID 114361256

IUPAC[2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C2(c3ccccc3)CCC2)sc1CN
InChIInChI=1S/C17H22N2S/c1-2-7-14-15(12-18)20-16(19-14)17(10-6-11-17)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12,18H2,1H3
InChIKeyBLVOTGNWDDHWME-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.02
Rot. Bonds5

About [2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361256) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is [2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID114361256
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name[2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(C2(c3ccccc3)CCC2)sc1CN
InChIInChI=1S/C17H22N2S/c1-2-7-14-15(12-18)20-16(19-14)17(10-6-11-17)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12,18H2,1H3
InChIKeyBLVOTGNWDDHWME-UHFFFAOYSA-N
XLogP4.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361180
4-(1-phenylcyclobutyl)-6-propyl-1,3,5-triazin-2-amine
CID 63867893
5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine
CID 66293144
[2-(3,4-dihydro-2H-quinolin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766572
[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 63079286
[4-ethyl-2-(1-methylcyclopropyl)-1,3-thiazol-5-yl]methanamine
CID 104840968
5-(aminomethyl)-N-methyl-N-(2-methylphenyl)-4-propyl-1,3-thiazol-2-amine
CID 62769284
N,6-diethyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine
CID 63486293
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432605
[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 116730669
2-[3-(1-phenylcyclobutyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 55182307
6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine
CID 63080795

Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 114361256) is [2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(C2(c3ccccc3)CCC2)sc1CN.
What is the InChIKey of [2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is BLVOTGNWDDHWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-7-14-15(12-18)20-16(19-14)17(10-6-11-17)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12,18H2,1H3.
What are the key properties of [2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 286.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylcyclobutyl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).