N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine

C17H30N2S — CID 115926877

IUPACN-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine
SMILESCc1nc(CC(CNCC(C)C)C2CCCC2)sc1C
InChIInChI=1S/C17H30N2S/c1-12(2)10-18-11-16(15-7-5-6-8-15)9-17-19-13(3)14(4)20-17/h12,15-16,18H,5-11H2,1-4H3
InChIKeyKTIDXDLBXHINQE-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.35
Rot. Bonds7

About N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine

N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine (PubChem CID 115926877) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine
PubChem CID115926877
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine
SMILESCc1nc(CC(CNCC(C)C)C2CCCC2)sc1C
InChIInChI=1S/C17H30N2S/c1-12(2)10-18-11-16(15-7-5-6-8-15)9-17-19-13(3)14(4)20-17/h12,15-16,18H,5-11H2,1-4H3
InChIKeyKTIDXDLBXHINQE-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81034112
N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015096
N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine
CID 105408541
N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine
CID 115926891
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 79017994
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 106869656
1-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 65168478
[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 103170711
2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine
CID 112570163
1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
CID 103169254
3-cyclohexyl-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81015222
N-[3-(3-bromophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 82932989

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine (CID 115926877) is N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine is Cc1nc(CC(CNCC(C)C)C2CCCC2)sc1C.
What is the InChIKey of N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is KTIDXDLBXHINQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-12(2)10-18-11-16(15-7-5-6-8-15)9-17-19-13(3)14(4)20-17/h12,15-16,18H,5-11H2,1-4H3.
What are the key properties of N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine?
N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115926877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).