(3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide

C16H27N3OS — CID 97272582

IUPAC(3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C16H27N3OS/c1-5-14-15(21-12(4)18-14)9-17-16(20)13-7-6-8-19(10-13)11(2)3/h11,13H,5-10H2,1-4H3,(H,17,20)/t13-/m0/s1
InChIKeyNEWBEDHQKBCSCB-ZDUSSCGKSA-N
MW309.48 g/mol
LogP2.75
Rot. Bonds5

About (3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide

(3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide (PubChem CID 97272582) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is (3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
PubChem CID97272582
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name(3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C16H27N3OS/c1-5-14-15(21-12(4)18-14)9-17-16(20)13-7-6-8-19(10-13)11(2)3/h11,13H,5-10H2,1-4H3,(H,17,20)/t13-/m0/s1
InChIKeyNEWBEDHQKBCSCB-ZDUSSCGKSA-N
XLogP2.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide (CID 97272582) is (3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide is CCc1nc(C)sc1CNC(=O)[C@H]1CCCN(C(C)C)C1.
What is the InChIKey of (3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is NEWBEDHQKBCSCB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-5-14-15(21-12(4)18-14)9-17-16(20)13-7-6-8-19(10-13)11(2)3/h11,13H,5-10H2,1-4H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
(3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 97272582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).