5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine

C10H15N3S — CID 131175692

IUPAC5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1(CNc2nnc(C3CC3)s2)CC1
InChIInChI=1S/C10H15N3S/c1-10(4-5-10)6-11-9-13-12-8(14-9)7-2-3-7/h7H,2-6H2,1H3,(H,11,13)
InChIKeyWUSCXCGCLVGVGM-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.63
Rot. Bonds4

About 5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine

5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 131175692) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID131175692
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1(CNc2nnc(C3CC3)s2)CC1
InChIInChI=1S/C10H15N3S/c1-10(4-5-10)6-11-9-13-12-8(14-9)7-2-3-7/h7H,2-6H2,1H3,(H,11,13)
InChIKeyWUSCXCGCLVGVGM-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine (CID 131175692) is 5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine is CC1(CNc2nnc(C3CC3)s2)CC1.
What is the InChIKey of 5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WUSCXCGCLVGVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-10(4-5-10)6-11-9-13-12-8(14-9)7-2-3-7/h7H,2-6H2,1H3,(H,11,13).
What are the key properties of 5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 209.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131175692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).