N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide

C12H13N3O2S — CID 7576735

IUPACN-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2snnc2C)cc1
InChIInChI=1S/C12H13N3O2S/c1-8-11(18-15-14-8)12(16)13-7-9-3-5-10(17-2)6-4-9/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyBAMRZTRPHMPTDN-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.79
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide

N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 7576735) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID7576735
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2snnc2C)cc1
InChIInChI=1S/C12H13N3O2S/c1-8-11(18-15-14-8)12(16)13-7-9-3-5-10(17-2)6-4-9/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyBAMRZTRPHMPTDN-UHFFFAOYSA-N
XLogP1.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[4-(4-methylsulfanylphenoxy)phenyl]methyl]thiadiazole-5-carboxamide
CID 19782055
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691868
N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 51585981
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide
CID 35578681
N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide (CID 7576735) is N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide is COc1ccc(CNC(=O)c2snnc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is BAMRZTRPHMPTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-11(18-15-14-8)12(16)13-7-9-3-5-10(17-2)6-4-9/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7576735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).