N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide

C14H11N3O3S2 — CID 88901598

IUPACN-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESCOc1cc(-c2csc(NC(=O)c3cncs3)n2)ccc1O
InChIInChI=1S/C14H11N3O3S2/c1-20-11-4-8(2-3-10(11)18)9-6-21-14(16-9)17-13(19)12-5-15-7-22-12/h2-7,18H,1H3,(H,16,17,19)
InChIKeyXNPVEXOHGDYZEK-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.23
Rot. Bonds4

About N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide

N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 88901598) has the molecular formula C14H11N3O3S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID88901598
Molecular FormulaC14H11N3O3S2
Molecular Weight333.39 g/mol
Exact Mass333.02
IUPAC NameN-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
SMILESCOc1cc(-c2csc(NC(=O)c3cncs3)n2)ccc1O
InChIInChI=1S/C14H11N3O3S2/c1-20-11-4-8(2-3-10(11)18)9-6-21-14(16-9)17-13(19)12-5-15-7-22-12/h2-7,18H,1H3,(H,16,17,19)
InChIKeyXNPVEXOHGDYZEK-UHFFFAOYSA-N
XLogP3.23
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 88901599
N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-4-hydroxy-3-methoxybenzamide
CID 162121520
2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5136321
N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 122589321
4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 43405521
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888387
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888356
N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901622

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide (CID 88901598) is N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide is COc1cc(-c2csc(NC(=O)c3cncs3)n2)ccc1O.
What is the InChIKey of N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is XNPVEXOHGDYZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S2/c1-20-11-4-8(2-3-10(11)18)9-6-21-14(16-9)17-13(19)12-5-15-7-22-12/h2-7,18H,1H3,(H,16,17,19).
What are the key properties of N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide?
N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxy-3-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 88901598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).