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

C15H11N3O5S — CID 87218248

IUPAC[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCOc1cc(C(=O)c2sc(NC(=O)O)nc2-c2ccco2)ccn1
InChIInChI=1S/C15H11N3O5S/c1-22-10-7-8(4-5-16-10)12(19)13-11(9-3-2-6-23-9)17-14(24-13)18-15(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
InChIKeyQPQISXITMIKIRE-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.13
Rot. Bonds5

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

[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid (PubChem CID 87218248) has the molecular formula C15H11N3O5S and a molecular weight of 345.34 g/mol. Its IUPAC name is [4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid
PubChem CID87218248
Molecular FormulaC15H11N3O5S
Molecular Weight345.34 g/mol
Exact Mass345.04
IUPAC Name[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid
SMILESCOc1cc(C(=O)c2sc(NC(=O)O)nc2-c2ccco2)ccn1
InChIInChI=1S/C15H11N3O5S/c1-22-10-7-8(4-5-16-10)12(19)13-11(9-3-2-6-23-9)17-14(24-13)18-15(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
InChIKeyQPQISXITMIKIRE-UHFFFAOYSA-N
XLogP3.13
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamate
CID 23144577
[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]-phenylmethanone
CID 44581364
[5-(2-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 87218532
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-2-hydroxy-2-methylpropanamide
CID 23144647
[4-(furan-2-yl)-5-(4-methoxycyclohexanecarbonyl)-1,3-thiazol-2-yl]carbamic acid
CID 87218339
N-[4-(furan-2-yl)-5-(pyrimidine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144188
N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144285
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyrimidine-5-carboxamide
CID 87275513
N-[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
CID 23144525
tert-butyl N-[4-(furan-2-yl)-5-(5-methoxypyridine-2-carbonyl)-1,3-thiazol-2-yl]carbamate
CID 23144098
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]pyridazine-4-carboxamide
CID 23144788

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid (CID 87218248) is [4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid is COc1cc(C(=O)c2sc(NC(=O)O)nc2-c2ccco2)ccn1.
What is the InChIKey of [4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is QPQISXITMIKIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5S/c1-22-10-7-8(4-5-16-10)12(19)13-11(9-3-2-6-23-9)17-14(24-13)18-15(20)21/h2-7H,1H3,(H,17,18)(H,20,21).
What are the key properties of [4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid?
[4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 345.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 87218248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).