4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide

C20H27N3OS — CID 99946457

IUPAC4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)sc1C(=O)NCCN1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H27N3OS/c1-3-18-19(25-15(2)22-18)20(24)21-11-13-23-12-7-10-17(14-23)16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-14H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyIGNRWALFBSHXRN-QGZVFWFLSA-N
MW357.52 g/mol
LogP3.62
Rot. Bonds6

About 4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide

4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 99946457) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID99946457
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)sc1C(=O)NCCN1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H27N3OS/c1-3-18-19(25-15(2)22-18)20(24)21-11-13-23-12-7-10-17(14-23)16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-14H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyIGNRWALFBSHXRN-QGZVFWFLSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide
CID 91834161
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
4-ethyl-2-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 56714098
2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 94115528
2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 131915442
N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide
CID 95193540
2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
CID 95230194
3-methoxy-5-methyl-N-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]thiophene-2-carboxamide
CID 99949552
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846
N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74249904
1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide
CID 99945532
1,4-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]indole-2-carboxamide
CID 77092346

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide (CID 99946457) is 4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide is CCc1nc(C)sc1C(=O)NCCN1CCC[C@@H](c2ccccc2)C1.
What is the InChIKey of 4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IGNRWALFBSHXRN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-3-18-19(25-15(2)22-18)20(24)21-11-13-23-12-7-10-17(14-23)16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-14H2,1-2H3,(H,21,24)/t17-/m1/s1.
What are the key properties of 4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide?
4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99946457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).