N-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

C9H15N3S — CID 65269005

IUPACN-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(NC2CC2)n1
InChIInChI=1S/C9H15N3S/c1-6(2)5-8-11-9(13-12-8)10-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyDMTIDSKODKLCOH-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.31
Rot. Bonds4

About N-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

N-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65269005) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65269005
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(NC2CC2)n1
InChIInChI=1S/C9H15N3S/c1-6(2)5-8-11-9(13-12-8)10-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyDMTIDSKODKLCOH-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 65269005) is N-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)Cc1nsc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DMTIDSKODKLCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(2)5-8-11-9(13-12-8)10-7-3-4-7/h6-7H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of N-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 197.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).