N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C18H24N4O3S2 — CID 129357027

IUPACN-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CCN([C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H24N4O3S2/c1-13-16(26-18(19-13)22-7-2-3-8-22)17(23)20-14-4-9-21(10-5-14)15-6-11-27(24,25)12-15/h2-3,7-8,14-15H,4-6,9-12H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyLIFVCXNFKCQPFH-HNNXBMFYSA-N
MW408.55 g/mol
LogP1.62
Rot. Bonds4

About N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 129357027) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID129357027
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC NameN-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CCN([C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H24N4O3S2/c1-13-16(26-18(19-13)22-7-2-3-8-22)17(23)20-14-4-9-21(10-5-14)15-6-11-27(24,25)12-15/h2-3,7-8,14-15H,4-6,9-12H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyLIFVCXNFKCQPFH-HNNXBMFYSA-N
XLogP1.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 146022937
N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide
CID 129357405
N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53013907
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110389733
2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42650194
1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(2-pyrrol-1-yl-1,3-thiazol-4-yl)ethanone
CID 52996239
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 45369646
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41075355
N-[1-(1,1-dioxothiolan-3-yl)piperidin-4-yl]-1H-indole-3-carboxamide
CID 122245618
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387362
2-(2-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42580894
2-chloro-N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-5-fluorobenzamide
CID 129357673

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 129357027) is N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NC1CCN([C@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is LIFVCXNFKCQPFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c1-13-16(26-18(19-13)22-7-2-3-8-22)17(23)20-14-4-9-21(10-5-14)15-6-11-27(24,25)12-15/h2-3,7-8,14-15H,4-6,9-12H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 129357027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).