1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide

C18H23N3O2S2 — CID 49402410

IUPAC1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)c2sc(-c3ccsc3)nc2C)C1
InChIInChI=1S/C18H23N3O2S2/c1-3-7-19-16(22)13-5-4-8-21(10-13)18(23)15-12(2)20-17(25-15)14-6-9-24-11-14/h6,9,11,13H,3-5,7-8,10H2,1-2H3,(H,19,22)
InChIKeyATRFLQXQHWKEAH-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide

1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide (PubChem CID 49402410) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is 1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide
PubChem CID49402410
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC Name1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(C(=O)c2sc(-c3ccsc3)nc2C)C1
InChIInChI=1S/C18H23N3O2S2/c1-3-7-19-16(22)13-5-4-8-21(10-13)18(23)15-12(2)20-17(25-15)14-6-9-24-11-14/h6,9,11,13H,3-5,7-8,10H2,1-2H3,(H,19,22)
InChIKeyATRFLQXQHWKEAH-UHFFFAOYSA-N
XLogP3.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 115966049
N-ethyl-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 55912564
N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479488
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
CID 119167261
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487802
N,N-diethyl-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 46547101
2,2-dimethyl-1-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 134021678
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 51237618
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 46421205
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 17491465
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide
CID 53035394

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide (CID 49402410) is 1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(C(=O)c2sc(-c3ccsc3)nc2C)C1.
What is the InChIKey of 1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide?
The InChIKey is ATRFLQXQHWKEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-3-7-19-16(22)13-5-4-8-21(10-13)18(23)15-12(2)20-17(25-15)14-6-9-24-11-14/h6,9,11,13H,3-5,7-8,10H2,1-2H3,(H,19,22).
What are the key properties of 1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide?
1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide has a molecular weight of 377.54 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 49402410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).