4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine

C7H10N6OS — CID 103383188

IUPAC4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCc1ncn[nH]1
InChIInChI=1S/C7H10N6OS/c1-14-5-6(8)13-15-7(5)9-2-4-10-3-11-12-4/h3,9H,2H2,1H3,(H2,8,13)(H,10,11,12)
InChIKeyNIZOBHZXBZFVOF-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.46
Rot. Bonds4

About 4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine

4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103383188) has the molecular formula C7H10N6OS and a molecular weight of 226.26 g/mol. Its IUPAC name is 4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103383188
Molecular FormulaC7H10N6OS
Molecular Weight226.26 g/mol
Exact Mass226.06
IUPAC Name4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCc1ncn[nH]1
InChIInChI=1S/C7H10N6OS/c1-14-5-6(8)13-15-7(5)9-2-4-10-3-11-12-4/h3,9H,2H2,1H3,(H2,8,13)(H,10,11,12)
InChIKeyNIZOBHZXBZFVOF-UHFFFAOYSA-N
XLogP0.46
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364283
4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380667
4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412716
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404
6-chloro-5-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193149
4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359710
4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103380162
4-methoxy-5-N-(2-thiophen-2-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382595
2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine
CID 64546102
4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103379304
4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359486
4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380641

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103383188) is 4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NCc1ncn[nH]1.
What is the InChIKey of 4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is NIZOBHZXBZFVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6OS/c1-14-5-6(8)13-15-7(5)9-2-4-10-3-11-12-4/h3,9H,2H2,1H3,(H2,8,13)(H,10,11,12).
What are the key properties of 4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine?
4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 226.26 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103383188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).