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

C10H10ClN3S — CID 64916170

IUPACN-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cccc(Cl)c2)s1
InChIInChI=1S/C10H10ClN3S/c1-7-13-14-10(15-7)12-6-8-3-2-4-9(11)5-8/h2-5H,6H2,1H3,(H,12,14)
InChIKeyHJVIHHSHLDHTBY-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.11
Rot. Bonds3

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

N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64916170) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64916170
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC NameN-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2cccc(Cl)c2)s1
InChIInChI=1S/C10H10ClN3S/c1-7-13-14-10(15-7)12-6-8-3-2-4-9(11)5-8/h2-5H,6H2,1H3,(H,12,14)
InChIKeyHJVIHHSHLDHTBY-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-chlorophenyl)methyl]-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

Related Compounds

N-[(3-chlorophenyl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 103926045
N-[(2-bromo-5-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 115924962
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 105357866
5-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64982615
N-[(4-fluorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64913971
N-benzyl-5-chloro-1,3,4-thiadiazol-2-amine
CID 75446200
5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982708
5-methyl-N-[(2,3,6-trichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103688413
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982748
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(3-chlorophenyl)methyl]acetamide
CID 7449010
N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 115924978
N-[(3-chlorophenyl)methyl]thiophen-3-amine
CID 66351019

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 64916170) is N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2cccc(Cl)c2)s1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HJVIHHSHLDHTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-7-13-14-10(15-7)12-6-8-3-2-4-9(11)5-8/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 239.73 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64916170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).