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

C12H9ClN4S2 — CID 82422602

IUPAC5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cnc(Cc3cccc(Cl)c3)s2)s1
InChIInChI=1S/C12H9ClN4S2/c13-8-3-1-2-7(4-8)5-10-15-6-9(18-10)11-16-17-12(14)19-11/h1-4,6H,5H2,(H2,14,17)
InChIKeyHHEUJJFTLXGBLE-UHFFFAOYSA-N
MW308.82 g/mol
LogP3.49
Rot. Bonds3

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

5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82422602) has the molecular formula C12H9ClN4S2 and a molecular weight of 308.82 g/mol. Its IUPAC name is 5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82422602
Molecular FormulaC12H9ClN4S2
Molecular Weight308.82 g/mol
Exact Mass308.00
IUPAC Name5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cnc(Cc3cccc(Cl)c3)s2)s1
InChIInChI=1S/C12H9ClN4S2/c13-8-3-1-2-7(4-8)5-10-15-6-9(18-10)11-16-17-12(14)19-11/h1-4,6H,5H2,(H2,14,17)
InChIKeyHHEUJJFTLXGBLE-UHFFFAOYSA-N
XLogP3.49
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 61280552
2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63386452
1-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091371
5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine
CID 66629043
N-[[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422590
4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane
CID 155700046
5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065554
4-chloro-2-[(3-chlorophenyl)methyl]aniline
CID 21497394
2-benzyl-5-pyridin-4-yl-1,3-thiazole
CID 14207536
N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 23855488
[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82428640
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 53271475

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 82422602) is 5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cnc(Cc3cccc(Cl)c3)s2)s1.
What is the InChIKey of 5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HHEUJJFTLXGBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4S2/c13-8-3-1-2-7(4-8)5-10-15-6-9(18-10)11-16-17-12(14)19-11/h1-4,6H,5H2,(H2,14,17).
What are the key properties of 5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 308.82 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82422602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).