5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine

C10H12N4S2 — CID 66280123

IUPAC5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C10H12N4S2/c11-9-12-10(16-13-9)14(7-3-4-7)6-8-2-1-5-15-8/h1-2,5,7H,3-4,6H2,(H2,11,13)
InChIKeyZDDUMLVWZPYVFY-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.35
Rot. Bonds4

About 5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine

5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66280123) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66280123
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C10H12N4S2/c11-9-12-10(16-13-9)14(7-3-4-7)6-8-2-1-5-15-8/h1-2,5,7H,3-4,6H2,(H2,11,13)
InChIKeyZDDUMLVWZPYVFY-UHFFFAOYSA-N
XLogP2.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133335275
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808750
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568405
2-N-cyclopropyl-2-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79882328
3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 54948508
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 61450921
8-N-cyclopropyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80778465
N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 133350927
4-bromo-1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61451094
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62766334
3-N-cyclopropyl-2-nitro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 80779246

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine (CID 66280123) is 5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(N(Cc2cccs2)C2CC2)n1.
What is the InChIKey of 5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is ZDDUMLVWZPYVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c11-9-12-10(16-13-9)14(7-3-4-7)6-8-2-1-5-15-8/h1-2,5,7H,3-4,6H2,(H2,11,13).
What are the key properties of 5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 252.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66280123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).