N-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide

C17H27N3OS — CID 155186403

IUPACN-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide
SMILESCNC1CC(C(=O)Nc2cnc([C@@H]3CCCCC3(C)C)s2)C1
InChIInChI=1S/C17H27N3OS/c1-17(2)7-5-4-6-13(17)16-19-10-14(22-16)20-15(21)11-8-12(9-11)18-3/h10-13,18H,4-9H2,1-3H3,(H,20,21)/t11?,12?,13-/m0/s1
InChIKeyUEBCUYCTKFRSHU-BPCQOVAHSA-N
MW321.49 g/mol
LogP3.76
Rot. Bonds4

About N-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide

N-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide (PubChem CID 155186403) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is N-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide
PubChem CID155186403
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC NameN-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide
SMILESCNC1CC(C(=O)Nc2cnc([C@@H]3CCCCC3(C)C)s2)C1
InChIInChI=1S/C17H27N3OS/c1-17(2)7-5-4-6-13(17)16-19-10-14(22-16)20-15(21)11-8-12(9-11)18-3/h10-13,18H,4-9H2,1-3H3,(H,20,21)/t11?,12?,13-/m0/s1
InChIKeyUEBCUYCTKFRSHU-BPCQOVAHSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide (CID 155186403) is N-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide is CNC1CC(C(=O)Nc2cnc([C@@H]3CCCCC3(C)C)s2)C1.
What is the InChIKey of N-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide?
The InChIKey is UEBCUYCTKFRSHU-BPCQOVAHSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-17(2)7-5-4-6-13(17)16-19-10-14(22-16)20-15(21)11-8-12(9-11)18-3/h10-13,18H,4-9H2,1-3H3,(H,20,21)/t11?,12?,13-/m0/s1.
What are the key properties of N-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide?
N-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide has a molecular weight of 321.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-2,2-dimethylcyclohexyl]-1,3-thiazol-5-yl]-3-(methylamino)cyclobutane-1-carboxamide is sourced from PubChem (CID 155186403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).