3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine

C11H13N3S2 — CID 133358527

IUPAC3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(Cc1ccsc1)c1nc(C2CC2)ns1
InChIInChI=1S/C11H13N3S2/c1-14(6-8-4-5-15-7-8)11-12-10(13-16-11)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3
InChIKeySQUWIUUZFSMFNV-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.11
Rot. Bonds4

About 3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133358527) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133358527
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(Cc1ccsc1)c1nc(C2CC2)ns1
InChIInChI=1S/C11H13N3S2/c1-14(6-8-4-5-15-7-8)11-12-10(13-16-11)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3
InChIKeySQUWIUUZFSMFNV-UHFFFAOYSA-N
XLogP3.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77064387
3-cyclobutyl-N-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
CID 154841903
5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622630
N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 131179833
6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80979010
4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 64545565
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid
CID 65272940
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 65275225
5-[(cyclopropylamino)methyl]-N-methyl-4-propyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62767283
3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 133376676
5-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 107379171
6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63730106

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 133358527) is 3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine is CN(Cc1ccsc1)c1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SQUWIUUZFSMFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-14(6-8-4-5-15-7-8)11-12-10(13-16-11)9-2-3-9/h4-5,7,9H,2-3,6H2,1H3.
What are the key properties of 3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 251.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133358527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).