5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

C12H13N7S — CID 103359144

IUPAC5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCn1cnnc1CNc1snc(N)c1-c1cccnc1
InChIInChI=1S/C12H13N7S/c1-19-7-16-17-9(19)6-15-12-10(11(13)18-20-12)8-3-2-4-14-5-8/h2-5,7,15H,6H2,1H3,(H2,13,18)
InChIKeyNUFAHBAINRKIPQ-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.53
Rot. Bonds4

About 5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103359144) has the molecular formula C12H13N7S and a molecular weight of 287.35 g/mol. Its IUPAC name is 5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103359144
Molecular FormulaC12H13N7S
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC Name5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCn1cnnc1CNc1snc(N)c1-c1cccnc1
InChIInChI=1S/C12H13N7S/c1-19-7-16-17-9(19)6-15-12-10(11(13)18-20-12)8-3-2-4-14-5-8/h2-5,7,15H,6H2,1H3,(H2,13,18)
InChIKeyNUFAHBAINRKIPQ-UHFFFAOYSA-N
XLogP1.53
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 106044435
5-N-[(4-methylthiophen-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364637
5-N-[(3-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364656
5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103363370
5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359536
4-methoxy-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103378191
5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364597
4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364167
5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol
CID 107324546
4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103365325
5-N-[(4-methylmorpholin-2-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359116
[2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 103359939

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103359144) is 5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is Cn1cnnc1CNc1snc(N)c1-c1cccnc1.
What is the InChIKey of 5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is NUFAHBAINRKIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7S/c1-19-7-16-17-9(19)6-15-12-10(11(13)18-20-12)8-3-2-4-14-5-8/h2-5,7,15H,6H2,1H3,(H2,13,18).
What are the key properties of 5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 287.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).