[(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone

C13H21N3OS — CID 136582996

IUPAC[(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
SMILESCCNc1nc(C(=O)N2CC[C@@H](C)C[C@H]2C)cs1
InChIInChI=1S/C13H21N3OS/c1-4-14-13-15-11(8-18-13)12(17)16-6-5-9(2)7-10(16)3/h8-10H,4-7H2,1-3H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyXLYCYCBSIMIHFS-NXEZZACHSA-N
MW267.40 g/mol
LogP2.84
Rot. Bonds3

About [(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone

[(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 136582996) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is [(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
PubChem CID136582996
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name[(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
SMILESCCNc1nc(C(=O)N2CC[C@@H](C)C[C@H]2C)cs1
InChIInChI=1S/C13H21N3OS/c1-4-14-13-15-11(8-18-13)12(17)16-6-5-9(2)7-10(16)3/h8-10H,4-7H2,1-3H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyXLYCYCBSIMIHFS-NXEZZACHSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone 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-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone
CID 166306966
[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 164632570
2-(ethylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 71864106
(4-amino-2-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330069
2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372810
[2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
CID 97099997
2-(ethylamino)-N-methyl-1,3-thiazole-4-carboxamide
CID 130709348
(6-amino-2-pyridinyl)-[(2S,4S)-2,4-dimethylpiperidin-1-yl]methanone
CID 94400305
1-[2-(ethylamino)-1,3-thiazole-4-carbonyl]-1,4-diazepan-5-one
CID 136516092
1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 42813693
N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876814
carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 159765137

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone (CID 136582996) is [(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone is CCNc1nc(C(=O)N2CC[C@@H](C)C[C@H]2C)cs1.
What is the InChIKey of [(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is XLYCYCBSIMIHFS-NXEZZACHSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-14-13-15-11(8-18-13)12(17)16-6-5-9(2)7-10(16)3/h8-10H,4-7H2,1-3H3,(H,14,15)/t9-,10-/m1/s1.
What are the key properties of [(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone?
[(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 267.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 136582996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).