[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid

C16H18N2O5S — CID 87218339

IUPAC[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCOC1CCC(C(=O)c2sc(NC(=O)O)nc2-c2ccco2)CC1
InChIInChI=1S/C16H18N2O5S/c1-22-10-6-4-9(5-7-10)13(19)14-12(11-3-2-8-23-11)17-15(24-14)18-16(20)21/h2-3,8-10H,4-7H2,1H3,(H,17,18)(H,20,21)
InChIKeyGCUQGRUKHCAHOD-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.88
Rot. Bonds5

About [4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid

[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87218339) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is [4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID87218339
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCOC1CCC(C(=O)c2sc(NC(=O)O)nc2-c2ccco2)CC1
InChIInChI=1S/C16H18N2O5S/c1-22-10-6-4-9(5-7-10)13(19)14-12(11-3-2-8-23-11)17-15(24-14)18-16(20)21/h2-3,8-10H,4-7H2,1H3,(H,17,18)(H,20,21)
InChIKeyGCUQGRUKHCAHOD-UHFFFAOYSA-N
XLogP3.88
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 87218784
[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218529
[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
CID 87218284
tert-butyl N-[5-(cyclohexanecarbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamate
CID 23144478
N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 23144318
N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 23144378
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 23144496
2-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3,4-dihydropyridine-5-carboxamide
CID 88573620
5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 88590186
[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218248
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 23144117
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 23144422

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid (CID 87218339) is [4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid is COC1CCC(C(=O)c2sc(NC(=O)O)nc2-c2ccco2)CC1.
What is the InChIKey of [4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is GCUQGRUKHCAHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-22-10-6-4-9(5-7-10)13(19)14-12(11-3-2-8-23-11)17-15(24-14)18-16(20)21/h2-3,8-10H,4-7H2,1H3,(H,17,18)(H,20,21).
What are the key properties of [4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid?
[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 350.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87218339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).