N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine

C16H28N2S — CID 112570119

IUPACN-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine
SMILESCc1nc(CC(CNC(C)(C)C)C2CCCC2)cs1
InChIInChI=1S/C16H28N2S/c1-12-18-15(11-19-12)9-14(10-17-16(2,3)4)13-7-5-6-8-13/h11,13-14,17H,5-10H2,1-4H3
InChIKeyLSMNCAYHFUXVBZ-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.19
Rot. Bonds5

About N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine

N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine (PubChem CID 112570119) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine
PubChem CID112570119
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine
SMILESCc1nc(CC(CNC(C)(C)C)C2CCCC2)cs1
InChIInChI=1S/C16H28N2S/c1-12-18-15(11-19-12)9-14(10-17-16(2,3)4)13-7-5-6-8-13/h11,13-14,17H,5-10H2,1-4H3
InChIKeyLSMNCAYHFUXVBZ-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105204440
N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 82932886
1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 104997127
1-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62797585
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
CID 82933669
N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 81015805
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80621547
[1-(4,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105231799
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 105159105
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55258935
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine (CID 112570119) is N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine is Cc1nc(CC(CNC(C)(C)C)C2CCCC2)cs1.
What is the InChIKey of N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is LSMNCAYHFUXVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-12-18-15(11-19-12)9-14(10-17-16(2,3)4)13-7-5-6-8-13/h11,13-14,17H,5-10H2,1-4H3.
What are the key properties of N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine?
N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 280.48 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 112570119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).