N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C15H20N4OS — CID 80619618

IUPACN-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NCCc2cccc(C)c2)s1
InChIInChI=1S/C15H20N4OS/c1-3-8-17-15-19-18-14(21-15)13(20)16-9-7-12-6-4-5-11(2)10-12/h4-6,10H,3,7-9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyCKBRFFSEQWACQM-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.64
Rot. Bonds7

About N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619618) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619618
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NCCc2cccc(C)c2)s1
InChIInChI=1S/C15H20N4OS/c1-3-8-17-15-19-18-14(21-15)13(20)16-9-7-12-6-4-5-11(2)10-12/h4-6,10H,3,7-9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyCKBRFFSEQWACQM-UHFFFAOYSA-N
XLogP2.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106050447
N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615441
5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614957
N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555
N-(4-methylpentyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616901
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106377361
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
N-[2-(tert-butylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 115357213
2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62315224
N-[3-(methanesulfonamido)propyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106342390
N-(3,5-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619362

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80619618) is N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)NCCc2cccc(C)c2)s1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is CKBRFFSEQWACQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-8-17-15-19-18-14(21-15)13(20)16-9-7-12-6-4-5-11(2)10-12/h4-6,10H,3,7-9H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).