(2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide

C16H25N3OS — CID 124694019

IUPAC(2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nc(C)c([C@H](C)N(C)C(=O)[C@@H]2CC23CCNCC3)s1
InChIInChI=1S/C16H25N3OS/c1-10-14(21-12(3)18-10)11(2)19(4)15(20)13-9-16(13)5-7-17-8-6-16/h11,13,17H,5-9H2,1-4H3/t11-,13-/m0/s1
InChIKeyZPYMDAAVYYAYKH-AAEUAGOBSA-N
MW307.46 g/mol
LogP2.67
Rot. Bonds3

About (2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide

(2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 124694019) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID124694019
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name(2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1nc(C)c([C@H](C)N(C)C(=O)[C@@H]2CC23CCNCC3)s1
InChIInChI=1S/C16H25N3OS/c1-10-14(21-12(3)18-10)11(2)19(4)15(20)13-9-16(13)5-7-17-8-6-16/h11,13,17H,5-9H2,1-4H3/t11-,13-/m0/s1
InChIKeyZPYMDAAVYYAYKH-AAEUAGOBSA-N
XLogP2.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976019
2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylacetamide
CID 119881804
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119881810
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide;dihydrochloride
CID 119881817
1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95759807
2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpentanamide;dihydrochloride
CID 119881785
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 124693977
N-methyl-N-pyrazin-2-yl-6-azaspiro[2.5]octane-2-carboxamide
CID 163299050
N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide
CID 79491626
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 112547935
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-3-methylbutanoic acid
CID 110838629
6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide
CID 56803309

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide (CID 124694019) is (2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide is Cc1nc(C)c([C@H](C)N(C)C(=O)[C@@H]2CC23CCNCC3)s1.
What is the InChIKey of (2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is ZPYMDAAVYYAYKH-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-10-14(21-12(3)18-10)11(2)19(4)15(20)13-9-16(13)5-7-17-8-6-16/h11,13,17H,5-9H2,1-4H3/t11-,13-/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 124694019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).