2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide

C17H29N3OS — CID 95786215

IUPAC2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)cs1
InChIInChI=1S/C17H29N3OS/c1-17(2,3)13-7-5-6-8-14(13)19-10-12-11-22-16(20-12)9-15(21)18-4/h11,13-14,19H,5-10H2,1-4H3,(H,18,21)/t13-,14-/m0/s1
InChIKeyVWBDLMMUWLIOSM-KBPBESRZSA-N
MW323.51 g/mol
LogP3.13
Rot. Bonds5

About 2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide

2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 95786215) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID95786215
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)cs1
InChIInChI=1S/C17H29N3OS/c1-17(2,3)13-7-5-6-8-14(13)19-10-12-11-22-16(20-12)9-15(21)18-4/h11,13-14,19H,5-10H2,1-4H3,(H,18,21)/t13-,14-/m0/s1
InChIKeyVWBDLMMUWLIOSM-KBPBESRZSA-N
XLogP3.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide 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 2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (CID 95786215) is 2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is CNC(=O)Cc1nc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)cs1.
What is the InChIKey of 2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is VWBDLMMUWLIOSM-KBPBESRZSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-17(2,3)13-7-5-6-8-14(13)19-10-12-11-22-16(20-12)9-15(21)18-4/h11,13-14,19H,5-10H2,1-4H3,(H,18,21)/t13-,14-/m0/s1.
What are the key properties of 2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 323.51 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(1S,2R)-2-tert-butylcyclohexyl]amino]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 95786215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).