N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine

C6H10ClN3S — CID 65208630

IUPACN-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)CCl)s1
InChIInChI=1S/C6H10ClN3S/c1-4(3-7)8-6-10-9-5(2)11-6/h4H,3H2,1-2H3,(H,8,10)
InChIKeyPORXHPQRXSWRPY-UHFFFAOYSA-N
MW191.69 g/mol
LogP1.89
Rot. Bonds3

About N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine

N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 65208630) has the molecular formula C6H10ClN3S and a molecular weight of 191.69 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID65208630
Molecular FormulaC6H10ClN3S
Molecular Weight191.69 g/mol
Exact Mass191.03
IUPAC NameN-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)CCl)s1
InChIInChI=1S/C6H10ClN3S/c1-4(3-7)8-6-10-9-5(2)11-6/h4H,3H2,1-2H3,(H,8,10)
InChIKeyPORXHPQRXSWRPY-UHFFFAOYSA-N
XLogP1.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.69
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-chloropropan-2-yl)-5-methyl-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

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 65208630) is N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC(C)CCl)s1.
What is the InChIKey of N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PORXHPQRXSWRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3S/c1-4(3-7)8-6-10-9-5(2)11-6/h4H,3H2,1-2H3,(H,8,10).
What are the key properties of N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 191.69 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65208630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).