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

C12H12N2O5S — CID 87218529

IUPAC[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCOCCC(=O)c1sc(NC(=O)O)nc1-c1ccco1
InChIInChI=1S/C12H12N2O5S/c1-18-6-4-7(15)10-9(8-3-2-5-19-8)13-11(20-10)14-12(16)17/h2-3,5H,4,6H2,1H3,(H,13,14)(H,16,17)
InChIKeyKWWYUPZFRGJRMQ-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.71
Rot. Bonds6

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

[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87218529) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is [4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID87218529
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Name[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCOCCC(=O)c1sc(NC(=O)O)nc1-c1ccco1
InChIInChI=1S/C12H12N2O5S/c1-18-6-4-7(15)10-9(8-3-2-5-19-8)13-11(20-10)14-12(16)17/h2-3,5H,4,6H2,1H3,(H,13,14)(H,16,17)
InChIKeyKWWYUPZFRGJRMQ-UHFFFAOYSA-N
XLogP2.71
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamate
CID 23144787
[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218339
[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218248
[5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 87218532
1-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-3-ethoxypropan-1-one
CID 86060932
N-[4-(furan-2-yl)-5-iodo-1,3-thiazol-2-yl]benzamide
CID 23144669
[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 44581364
[5-(1,4-dioxaspiro[4.5]decane-8-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 87218784
methyl N-[4-(furan-2-yl)-5-[(2E,4Z)-hexa-2,4-dienoyl]-1,3-thiazol-2-yl]carbamate
CID 130256972
2-(furan-2-yl)-N-(2-methoxyethoxy)-5-methyl-1,3-thiazole-4-carboxamide
CID 79676397
N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 23144378
N-[4-(furan-2-yl)-5-[2-(oxan-4-yl)acetyl]-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
CID 143901525

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid (CID 87218529) is [4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid is COCCC(=O)c1sc(NC(=O)O)nc1-c1ccco1.
What is the InChIKey of [4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is KWWYUPZFRGJRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c1-18-6-4-7(15)10-9(8-3-2-5-19-8)13-11(20-10)14-12(16)17/h2-3,5H,4,6H2,1H3,(H,13,14)(H,16,17).
What are the key properties of [4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid?
[4-(furan-2-yl)-5-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 296.30 g/mol, XLogP of 2.71, 6 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-(3-methoxypropanoyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87218529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).