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

C15H22N2O3S2 — CID 99577403

IUPACN-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O3S2/c1-11-14(21-10-16-11)15(18)17(12-5-3-2-4-6-12)13-7-8-22(19,20)9-13/h10,12-13H,2-9H2,1H3/t13-/m0/s1
InChIKeyNATZLKDYBCFJDQ-ZDUSSCGKSA-N
MW342.49 g/mol
LogP2.41
Rot. Bonds3

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

N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 99577403) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID99577403
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC NameN-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O3S2/c1-11-14(21-10-16-11)15(18)17(12-5-3-2-4-6-12)13-7-8-22(19,20)9-13/h10,12-13H,2-9H2,1H3/t13-/m0/s1
InChIKeyNATZLKDYBCFJDQ-ZDUSSCGKSA-N
XLogP2.41
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 63050092
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]thiophene-3-carboxamide
CID 99577852
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide
CID 136531982
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide
CID 42940163
2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide
CID 166208442
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide
CID 136529605
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide
CID 136531983
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 7376539
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide
CID 99577019
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 17473544
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 26002010
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 26002011

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 99577403) is N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NATZLKDYBCFJDQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-11-14(21-10-16-11)15(18)17(12-5-3-2-4-6-12)13-7-8-22(19,20)9-13/h10,12-13H,2-9H2,1H3/t13-/m0/s1.
What are the key properties of N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99577403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).