1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C16H26N2OS — CID 114366904

IUPAC1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2(OC)CCC(C)CC2)nc1C1CC1
InChIInChI=1S/C16H26N2OS/c1-11-6-8-16(19-3,9-7-11)15-18-14(12-4-5-12)13(20-15)10-17-2/h11-12,17H,4-10H2,1-3H3
InChIKeyLROLVDUFEQSIJD-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.79
Rot. Bonds5

About 1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114366904) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114366904
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2(OC)CCC(C)CC2)nc1C1CC1
InChIInChI=1S/C16H26N2OS/c1-11-6-8-16(19-3,9-7-11)15-18-14(12-4-5-12)13(20-15)10-17-2/h11-12,17H,4-10H2,1-3H3
InChIKeyLROLVDUFEQSIJD-UHFFFAOYSA-N
XLogP3.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114366904) is 1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(C2(OC)CCC(C)CC2)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is LROLVDUFEQSIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-11-6-8-16(19-3,9-7-11)15-18-14(12-4-5-12)13(20-15)10-17-2/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 294.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114366904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).