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

C9H10ClN3S2 — CID 115924701

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2ccc(Cl)s2)s1
InChIInChI=1S/C9H10ClN3S2/c1-2-8-12-13-9(15-8)11-5-6-3-4-7(10)14-6/h3-4H,2,5H2,1H3,(H,11,13)
InChIKeyCYRGDBQKJYCPPI-UHFFFAOYSA-N
MW259.79 g/mol
LogP3.43
Rot. Bonds4

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

N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 115924701) has the molecular formula C9H10ClN3S2 and a molecular weight of 259.79 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID115924701
Molecular FormulaC9H10ClN3S2
Molecular Weight259.79 g/mol
Exact Mass259.00
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2ccc(Cl)s2)s1
InChIInChI=1S/C9H10ClN3S2/c1-2-8-12-13-9(15-8)11-5-6-3-4-7(10)14-6/h3-4H,2,5H2,1H3,(H,11,13)
InChIKeyCYRGDBQKJYCPPI-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-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-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599768
5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924677
5-ethyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924665
N-[(4,5-dibromothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648126
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine
CID 83301712
2-chloro-4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 107647925
5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924687
5-ethyl-N-(1,3-thiazol-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 103933936
5-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924669
5-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103933943
4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]benzamide
CID 113341451
N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647861

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine (CID 115924701) is N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NCc2ccc(Cl)s2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CYRGDBQKJYCPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S2/c1-2-8-12-13-9(15-8)11-5-6-3-4-7(10)14-6/h3-4H,2,5H2,1H3,(H,11,13).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 259.79 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 115924701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).