N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine

C12H13N3S — CID 131017877

IUPACN-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CNc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C12H13N3S/c1-2-4-9(5-3-1)8-13-12-15-14-11(16-12)10-6-7-10/h1-5,10H,6-8H2,(H,13,15)
InChIKeyBZVIGMFGXJARGH-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.03
Rot. Bonds4

About N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine

N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine (PubChem CID 131017877) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine
PubChem CID131017877
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(CNc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C12H13N3S/c1-2-4-9(5-3-1)8-13-12-15-14-11(16-12)10-6-7-10/h1-5,10H,6-8H2,(H,13,15)
InChIKeyBZVIGMFGXJARGH-UHFFFAOYSA-N
XLogP3.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-N-phenyl-1,3,4-thiadiazol-2-amine
CID 156770998
N-benzyl-5-chloro-1,3,4-thiadiazol-2-amine
CID 75446200
N-(1-benzylpiperidin-4-yl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 133366013
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-phenylphenyl)ethanol
CID 133477231
5-cyclopropyl-N-[(2-imidazol-1-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 86805617
5-cyclopropyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 86805588
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7995236
benzyl 4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 146022284
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 133383705
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 2408234
5-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine
CID 131175692

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine (CID 131017877) is N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine is c1ccc(CNc2nnc(C3CC3)s2)cc1.
What is the InChIKey of N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BZVIGMFGXJARGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-2-4-9(5-3-1)8-13-12-15-14-11(16-12)10-6-7-10/h1-5,10H,6-8H2,(H,13,15).
What are the key properties of N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine has a molecular weight of 231.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131017877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).