(2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide

C18H23N3OS — CID 177213534

IUPAC(2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2csc(CNC(=O)[C@H]3CCCN[C@H]3C)n2)cc1
InChIInChI=1S/C18H23N3OS/c1-12-5-7-14(8-6-12)16-11-23-17(21-16)10-20-18(22)15-4-3-9-19-13(15)2/h5-8,11,13,15,19H,3-4,9-10H2,1-2H3,(H,20,22)/t13-,15-/m0/s1
InChIKeyGIIVIIAHOIRJTL-ZFWWWQNUSA-N
MW329.47 g/mol
LogP3.12
Rot. Bonds4

About (2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide

(2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 177213534) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
PubChem CID177213534
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2csc(CNC(=O)[C@H]3CCCN[C@H]3C)n2)cc1
InChIInChI=1S/C18H23N3OS/c1-12-5-7-14(8-6-12)16-11-23-17(21-16)10-20-18(22)15-4-3-9-19-13(15)2/h5-8,11,13,15,19H,3-4,9-10H2,1-2H3,(H,20,22)/t13-,15-/m0/s1
InChIKeyGIIVIIAHOIRJTL-ZFWWWQNUSA-N
XLogP3.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide (CID 177213534) is (2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide is Cc1ccc(-c2csc(CNC(=O)[C@H]3CCCN[C@H]3C)n2)cc1.
What is the InChIKey of (2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is GIIVIIAHOIRJTL-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-5-7-14(8-6-12)16-11-23-17(21-16)10-20-18(22)15-4-3-9-19-13(15)2/h5-8,11,13,15,19H,3-4,9-10H2,1-2H3,(H,20,22)/t13-,15-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide?
(2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 177213534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).