3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine

C12H12N6OS — CID 58976859

IUPAC3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
SMILESCOc1ccccc1Nc1nc(N)n(-c2nccs2)n1
InChIInChI=1S/C12H12N6OS/c1-19-9-5-3-2-4-8(9)15-11-16-10(13)18(17-11)12-14-6-7-20-12/h2-7H,1H3,(H3,13,15,16,17)
InChIKeyZJNXLUGVKFONIZ-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.06
Rot. Bonds4

About 3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine

3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine (PubChem CID 58976859) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
PubChem CID58976859
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
SMILESCOc1ccccc1Nc1nc(N)n(-c2nccs2)n1
InChIInChI=1S/C12H12N6OS/c1-19-9-5-3-2-4-8(9)15-11-16-10(13)18(17-11)12-14-6-7-20-12/h2-7H,1H3,(H3,13,15,16,17)
InChIKeyZJNXLUGVKFONIZ-UHFFFAOYSA-N
XLogP2.06
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-N-(2-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2,4-triazole-3,5-diamine
CID 58976674
3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976457
3-N-(5-chloro-2-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976622
3-N-(2-methoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 12052664
[4-[5-amino-3-(2-methoxyanilino)-1,2,4-triazol-1-yl]phenyl]-piperidin-1-ylmethanone
CID 58976439
1-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58976306
3-N-[4-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 175793445
3-N-(2-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976216
3-N-(2,6-dimethoxy-3-pyridinyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 12052666
1-(3-iodo-2-pyridinyl)-3-N-(2-methylphenyl)-1,2,4-triazole-3,5-diamine
CID 68889842
3-N-(4-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976428
6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine (CID 58976859) is 3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine is COc1ccccc1Nc1nc(N)n(-c2nccs2)n1.
What is the InChIKey of 3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?
The InChIKey is ZJNXLUGVKFONIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c1-19-9-5-3-2-4-8(9)15-11-16-10(13)18(17-11)12-14-6-7-20-12/h2-7H,1H3,(H3,13,15,16,17).
What are the key properties of 3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?
3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine has a molecular weight of 288.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyphenyl)-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 58976859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).