5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine

C12H11N5OS2 — CID 155816216

IUPAC5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1Nc1nnc(-c2csc(N)n2)s1
InChIInChI=1S/C12H11N5OS2/c1-18-9-5-3-2-4-7(9)15-12-17-16-10(20-12)8-6-19-11(13)14-8/h2-6H,1H3,(H2,13,14)(H,15,17)
InChIKeyUJLDARLRJTVUND-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.00
Rot. Bonds4

About 5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine

5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 155816216) has the molecular formula C12H11N5OS2 and a molecular weight of 305.39 g/mol. Its IUPAC name is 5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID155816216
Molecular FormulaC12H11N5OS2
Molecular Weight305.39 g/mol
Exact Mass305.04
IUPAC Name5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1Nc1nnc(-c2csc(N)n2)s1
InChIInChI=1S/C12H11N5OS2/c1-18-9-5-3-2-4-7(9)15-12-17-16-10(20-12)8-6-19-11(13)14-8/h2-6H,1H3,(H2,13,14)(H,15,17)
InChIKeyUJLDARLRJTVUND-UHFFFAOYSA-N
XLogP3.00
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82516112
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
2-N-(2-methoxyphenyl)-1,3-thiazole-2,5-diamine
CID 102767348
4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine
CID 82476196
4-(1-benzofuran-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 684498
N-[4-[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]phenyl]benzamide
CID 11200464
N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide
CID 9343584
5-[(2-benzyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 38869354
N-(2-methoxyphenyl)-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18099622
4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101048
5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3407778
4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80769228

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 155816216) is 5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine is COc1ccccc1Nc1nnc(-c2csc(N)n2)s1.
What is the InChIKey of 5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UJLDARLRJTVUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS2/c1-18-9-5-3-2-4-7(9)15-12-17-16-10(20-12)8-6-19-11(13)14-8/h2-6H,1H3,(H2,13,14)(H,15,17).
What are the key properties of 5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 305.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 155816216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).