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

C13H12N4OS2 — CID 82516112

IUPAC5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2csc(-c3ccccc3OC)n2)s1
InChIInChI=1S/C13H12N4OS2/c1-14-13-17-16-12(20-13)9-7-19-11(15-9)8-5-3-4-6-10(8)18-2/h3-7H,1-2H3,(H,14,17)
InChIKeySDJPSCWXYKYMBQ-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.38
Rot. Bonds4

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

5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 82516112) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID82516112
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2csc(-c3ccccc3OC)n2)s1
InChIInChI=1S/C13H12N4OS2/c1-14-13-17-16-12(20-13)9-7-19-11(15-9)8-5-3-4-6-10(8)18-2/h3-7H,1-2H3,(H,14,17)
InChIKeySDJPSCWXYKYMBQ-UHFFFAOYSA-N
XLogP3.38
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 155816216
4-chloro-2-(2-methoxyphenyl)-1,3-thiazole
CID 83158767
2-(2-bromophenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 79831089
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
4-(2-methoxyphenyl)-2-(3-methylthiophen-2-yl)-1,3-thiazole
CID 35618487
2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
CID 21151958
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole
CID 113253756
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4212091
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 977320

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 82516112) is 5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2csc(-c3ccccc3OC)n2)s1.
What is the InChIKey of 5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SDJPSCWXYKYMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-14-13-17-16-12(20-13)9-7-19-11(15-9)8-5-3-4-6-10(8)18-2/h3-7H,1-2H3,(H,14,17).
What are the key properties of 5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 304.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82516112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).