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

C8H8ClN3S2 — CID 62057962

IUPAC4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine
SMILESCc1ccc(CNc2nsnc2Cl)s1
InChIInChI=1S/C8H8ClN3S2/c1-5-2-3-6(13-5)4-10-8-7(9)11-14-12-8/h2-3H,4H2,1H3,(H,10,12)
InChIKeyICCOBMVGAWURQL-UHFFFAOYSA-N
MW245.76 g/mol
LogP3.17
Rot. Bonds3

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

4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine (PubChem CID 62057962) has the molecular formula C8H8ClN3S2 and a molecular weight of 245.76 g/mol. Its IUPAC name is 4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine
PubChem CID62057962
Molecular FormulaC8H8ClN3S2
Molecular Weight245.76 g/mol
Exact Mass244.98
IUPAC Name4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine
SMILESCc1ccc(CNc2nsnc2Cl)s1
InChIInChI=1S/C8H8ClN3S2/c1-5-2-3-6(13-5)4-10-8-7(9)11-14-12-8/h2-3H,4H2,1H3,(H,10,12)
InChIKeyICCOBMVGAWURQL-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 62057964
6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
CID 63023616
2-methyl-6-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]phenol
CID 142883760
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 62057687
2-tert-butyl-6-chloro-5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80972406
3,5-dichloro-2-N-ethyl-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine
CID 102757761
N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 62057971
2-(ethylaminosulfanyl)-4-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophen-3-ol
CID 143077241
5-methyl-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982707
5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975243
3-hydroxy-4-[[4-[(5-methylthiophen-2-yl)methylamino]-1,2,5-thiadiazol-3-yl]amino]thiophene-2-sulfinamide
CID 143076789
2,4,6-trichloro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28992364

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine (CID 62057962) is 4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine is Cc1ccc(CNc2nsnc2Cl)s1.
What is the InChIKey of 4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine?
The InChIKey is ICCOBMVGAWURQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S2/c1-5-2-3-6(13-5)4-10-8-7(9)11-14-12-8/h2-3H,4H2,1H3,(H,10,12).
What are the key properties of 4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine?
4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine has a molecular weight of 245.76 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-methylthiophen-2-yl)methyl]-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 62057962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).