N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine

C17H30N2S — CID 114364221

IUPACN-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(C2CCCC(C)C2)sc1CNC(C)C
InChIInChI=1S/C17H30N2S/c1-5-7-15-16(11-18-12(2)3)20-17(19-15)14-9-6-8-13(4)10-14/h12-14,18H,5-11H2,1-4H3
InChIKeyGDZPWONLZQFZGJ-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.89
Rot. Bonds6

About N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114364221) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114364221
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(C2CCCC(C)C2)sc1CNC(C)C
InChIInChI=1S/C17H30N2S/c1-5-7-15-16(11-18-12(2)3)20-17(19-15)14-9-6-8-13(4)10-14/h12-14,18H,5-11H2,1-4H3
InChIKeyGDZPWONLZQFZGJ-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114364221) is N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CCCc1nc(C2CCCC(C)C2)sc1CNC(C)C.
What is the InChIKey of N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is GDZPWONLZQFZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-7-15-16(11-18-12(2)3)20-17(19-15)14-9-6-8-13(4)10-14/h12-14,18H,5-11H2,1-4H3.
What are the key properties of N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 294.51 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114364221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).