(3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide

C19H23N3O2S2 — CID 30267330

IUPAC(3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2csc(S[C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)n2)cc1
InChIInChI=1S/C19H23N3O2S2/c1-12-5-7-14(8-6-12)16-11-25-19(21-16)26-13(2)18(24)22-9-3-4-15(10-22)17(20)23/h5-8,11,13,15H,3-4,9-10H2,1-2H3,(H2,20,23)/t13-,15-/m1/s1
InChIKeyMDOCMEAVKLAVGF-UKRRQHHQSA-N
MW389.55 g/mol
LogP3.32
Rot. Bonds5

About (3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide

(3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide (PubChem CID 30267330) has the molecular formula C19H23N3O2S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide
PubChem CID30267330
Molecular FormulaC19H23N3O2S2
Molecular Weight389.55 g/mol
Exact Mass389.12
IUPAC Name(3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2csc(S[C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)n2)cc1
InChIInChI=1S/C19H23N3O2S2/c1-12-5-7-14(8-6-12)16-11-25-19(21-16)26-13(2)18(24)22-9-3-4-15(10-22)17(20)23/h5-8,11,13,15H,3-4,9-10H2,1-2H3,(H2,20,23)/t13-,15-/m1/s1
InChIKeyMDOCMEAVKLAVGF-UKRRQHHQSA-N
XLogP3.32
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide with MolForge

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Related Compounds

ethyl 1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-4-carboxylate
CID 112778342
1-(2-quinolin-2-ylsulfanylpropanoyl)piperidine-3-carboxamide
CID 134037835
(2S)-1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]piperidine-2-carboxamide
CID 8564762
1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide
CID 134037918
(3S)-1-[(2R)-2-(3-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 125129797
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 112810704
(3S)-1-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 8582066
1-[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 848339
(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
N-cyclohexyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 112778344
1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 3434871
(2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 39074926

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide (CID 30267330) is (3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide is Cc1ccc(-c2csc(S[C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)n2)cc1.
What is the InChIKey of (3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide?
The InChIKey is MDOCMEAVKLAVGF-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H23N3O2S2/c1-12-5-7-14(8-6-12)16-11-25-19(21-16)26-13(2)18(24)22-9-3-4-15(10-22)17(20)23/h5-8,11,13,15H,3-4,9-10H2,1-2H3,(H2,20,23)/t13-,15-/m1/s1.
What are the key properties of (3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide?
(3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide has a molecular weight of 389.55 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 30267330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).