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

C13H18N4OS2 — CID 80615832

IUPACN-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)C(C)c2cccs2)s1
InChIInChI=1S/C13H18N4OS2/c1-4-7-14-13-16-15-11(20-13)12(18)17(3)9(2)10-6-5-8-19-10/h5-6,8-9H,4,7H2,1-3H3,(H,14,16)
InChIKeyJPFFMHGBURHLGQ-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.25
Rot. Bonds6

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

N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615832) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615832
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC NameN-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)C(C)c2cccs2)s1
InChIInChI=1S/C13H18N4OS2/c1-4-7-14-13-16-15-11(20-13)12(18)17(3)9(2)10-6-5-8-19-10/h5-6,8-9H,4,7H2,1-3H3,(H,14,16)
InChIKeyJPFFMHGBURHLGQ-UHFFFAOYSA-N
XLogP3.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62179603
N-methyl-2-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62180310
N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide
CID 106937223
N-methyl-5-(propylamino)-N-(pyridin-4-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80614863
N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618395
N-(4-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618566
N-[(4-bromophenyl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618727
5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615811
N-(3,5-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619362
N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618069
N-(4-methylpentyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616901
1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 94124053

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80615832) is N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(C)C(C)c2cccs2)s1.
What is the InChIKey of N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JPFFMHGBURHLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-4-7-14-13-16-15-11(20-13)12(18)17(3)9(2)10-6-5-8-19-10/h5-6,8-9H,4,7H2,1-3H3,(H,14,16).
What are the key properties of N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide?
N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 310.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(propylamino)-N-(1-thiophen-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).