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

C14H12N4O2S2 — CID 21008252

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3snnc3C)n2)cc1
InChIInChI=1S/C14H12N4O2S2/c1-8-12(22-18-17-8)13(19)16-14-15-11(7-21-14)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,15,16,19)
InChIKeyXNEWYVQXWDIDKA-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.23
Rot. Bonds4

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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 21008252) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
PubChem CID21008252
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3snnc3C)n2)cc1
InChIInChI=1S/C14H12N4O2S2/c1-8-12(22-18-17-8)13(19)16-14-15-11(7-21-14)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,15,16,19)
InChIKeyXNEWYVQXWDIDKA-UHFFFAOYSA-N
XLogP3.23
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
CID 112773417
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
CID 5306643
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 20719818
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 52900445
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 9192775
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 17417571
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 4826765
4-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 146021815
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
methane;4-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 158194768

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide (CID 21008252) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide is COc1ccc(-c2csc(NC(=O)c3snnc3C)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is XNEWYVQXWDIDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c1-8-12(22-18-17-8)13(19)16-14-15-11(7-21-14)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,15,16,19).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 21008252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).