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

C11H12ClN3S — CID 64982748

IUPACN-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)c2cccc(Cl)c2)s1
InChIInChI=1S/C11H12ClN3S/c1-7(9-4-3-5-10(12)6-9)13-11-15-14-8(2)16-11/h3-7H,1-2H3,(H,13,15)
InChIKeyNPWXVPXIHVNDNK-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.67
Rot. Bonds3

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

N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64982748) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64982748
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC(C)c2cccc(Cl)c2)s1
InChIInChI=1S/C11H12ClN3S/c1-7(9-4-3-5-10(12)6-9)13-11-15-14-8(2)16-11/h3-7H,1-2H3,(H,13,15)
InChIKeyNPWXVPXIHVNDNK-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 113240474
N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide
CID 65209214
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648355
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982753
N-[1-(4-fluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982704
N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648217
N-[1-(3-chlorophenyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106566702
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 103688141
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352584
N-[(3-chlorophenyl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64916170

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 64982748) is N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC(C)c2cccc(Cl)c2)s1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NPWXVPXIHVNDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7(9-4-3-5-10(12)6-9)13-11-15-14-8(2)16-11/h3-7H,1-2H3,(H,13,15).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 253.76 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64982748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).