N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C15H20N4OS — CID 80618719

IUPACN-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)c2ccc(C)cc2C)s1
InChIInChI=1S/C15H20N4OS/c1-5-8-16-15-18-17-13(21-15)14(20)19(4)12-7-6-10(2)9-11(12)3/h6-7,9H,5,8H2,1-4H3,(H,16,18)
InChIKeyYFQJBOHNTOAYBC-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.25
Rot. Bonds5

About N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618719) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618719
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)c2ccc(C)cc2C)s1
InChIInChI=1S/C15H20N4OS/c1-5-8-16-15-18-17-13(21-15)14(20)19(4)12-7-6-10(2)9-11(12)3/h6-7,9H,5,8H2,1-4H3,(H,16,18)
InChIKeyYFQJBOHNTOAYBC-UHFFFAOYSA-N
XLogP3.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619362
N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618395
N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide
CID 106937223
N-(4-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618566
N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618069
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615665
N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619618
N-methyl-5-(propylamino)-N-(pyridin-4-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80614863
N-[(4-bromophenyl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618727
N-propyl-5-[(N,2,4-trimethylanilino)methyl]-1,3-thiazol-2-amine
CID 79771567
2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697007
N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615832

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80618719) is N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(C)c2ccc(C)cc2C)s1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YFQJBOHNTOAYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-5-8-16-15-18-17-13(21-15)14(20)19(4)12-7-6-10(2)9-11(12)3/h6-7,9H,5,8H2,1-4H3,(H,16,18).
What are the key properties of N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).