1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine

C16H28N2S — CID 61333258

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCc1nc(C2(NC(C)C)CCC(C)CC2)sc1C
InChIInChI=1S/C16H28N2S/c1-6-14-13(5)19-15(17-14)16(18-11(2)3)9-7-12(4)8-10-16/h11-12,18H,6-10H2,1-5H3
InChIKeyPAEZYOMCJWVQBS-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 61333258) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID61333258
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCc1nc(C2(NC(C)C)CCC(C)CC2)sc1C
InChIInChI=1S/C16H28N2S/c1-6-14-13(5)19-15(17-14)16(18-11(2)3)9-7-12(4)8-10-16/h11-12,18H,6-10H2,1-5H3
InChIKeyPAEZYOMCJWVQBS-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine (CID 61333258) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine is CCc1nc(C2(NC(C)C)CCC(C)CC2)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is PAEZYOMCJWVQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-6-14-13(5)19-15(17-14)16(18-11(2)3)9-7-12(4)8-10-16/h11-12,18H,6-10H2,1-5H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 61333258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).