N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide

C14H20N2O3S2 — CID 63050092

IUPACN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O3S2/c17-14(13-8-20-10-15-13)16(11-4-2-1-3-5-11)12-6-7-21(18,19)9-12/h8,10-12H,1-7,9H2
InChIKeyLQDKSTRJMVMJDZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.11
Rot. Bonds3

About N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 63050092) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID63050092
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O3S2/c17-14(13-8-20-10-15-13)16(11-4-2-1-3-5-11)12-6-7-21(18,19)9-12/h8,10-12H,1-7,9H2
InChIKeyLQDKSTRJMVMJDZ-UHFFFAOYSA-N
XLogP2.11
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]thiophene-3-carboxamide
CID 99577852
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 99577403
N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 62046166
N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 63037212
N-cyclopentyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 63037041
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)-6-methoxypyridine-3-carboxamide
CID 136531982
N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102684545
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 7702711
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide
CID 99577019
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide
CID 136531983

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide (CID 63050092) is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide is O=C(c1cscn1)N(C1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LQDKSTRJMVMJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c17-14(13-8-20-10-15-13)16(11-4-2-1-3-5-11)12-6-7-21(18,19)9-12/h8,10-12H,1-7,9H2.
What are the key properties of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide?
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63050092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).