4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine

C10H13N3S2 — CID 102838564

IUPAC4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1-c1ccsc1C
InChIInChI=1S/C10H13N3S2/c1-3-5-11-10-9(12-15-13-10)8-4-6-14-7(8)2/h4,6H,3,5H2,1-2H3,(H,11,13)
InChIKeyFMWCKZZQIHBNJM-UHFFFAOYSA-N
MW239.37 g/mol
LogP3.40
Rot. Bonds4

About 4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine

4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine (PubChem CID 102838564) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine
PubChem CID102838564
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC Name4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1-c1ccsc1C
InChIInChI=1S/C10H13N3S2/c1-3-5-11-10-9(12-15-13-10)8-4-6-14-7(8)2/h4,6H,3,5H2,1-2H3,(H,11,13)
InChIKeyFMWCKZZQIHBNJM-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838647
4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 82823097
4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 106646781
6-(2-methylthiophen-3-yl)-N-propylpyridin-2-amine
CID 102838364
6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine
CID 102838567
4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 116506918
4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine
CID 102838569
2-methyl-N-propylthiophen-3-amine
CID 90965556
2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838352
4-(3-chlorothiophen-2-yl)-N-ethyl-1,2,5-thiadiazol-3-amine
CID 107361114
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylthiophen-3-yl)pyrimidin-4-amine
CID 102838645
6-(2-methylthiophen-3-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102838356

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine (CID 102838564) is 4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine is CCCNc1nsnc1-c1ccsc1C.
What is the InChIKey of 4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine?
The InChIKey is FMWCKZZQIHBNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c1-3-5-11-10-9(12-15-13-10)8-4-6-14-7(8)2/h4,6H,3,5H2,1-2H3,(H,11,13).
What are the key properties of 4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine?
4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine has a molecular weight of 239.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 102838564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).