N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

C15H23N3O3S2 — CID 110387362

IUPACN-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCCCC2)sc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H23N3O3S2/c1-11-14(15(19)17-12-5-8-23(20,21)10-12)22-13(16-11)9-18-6-3-2-4-7-18/h12H,2-10H2,1H3,(H,17,19)
InChIKeyYFMRMBHZEOWUIF-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.35
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110387362) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID110387362
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CN2CCCCC2)sc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H23N3O3S2/c1-11-14(15(19)17-12-5-8-23(20,21)10-12)22-13(16-11)9-18-6-3-2-4-7-18/h12H,2-10H2,1H3,(H,17,19)
InChIKeyYFMRMBHZEOWUIF-UHFFFAOYSA-N
XLogP1.35
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 110387370
ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 110387107
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110389733
N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 11652275
2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42650194
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41075355
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320
2-(2-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42580894
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 45356079
(4-methylpiperidin-1-yl)-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 110387059
1-[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 110387336
N-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387143

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (CID 110387362) is N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(CN2CCCCC2)sc1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YFMRMBHZEOWUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-11-14(15(19)17-12-5-8-23(20,21)10-12)22-13(16-11)9-18-6-3-2-4-7-18/h12H,2-10H2,1H3,(H,17,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110387362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).