2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide

C8H8N6OS — CID 114387899

IUPAC2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2nccnn2)cs1
InChIInChI=1S/C8H8N6OS/c9-3-6-12-5(4-16-6)7(15)13-8-10-1-2-11-14-8/h1-2,4H,3,9H2,(H,10,13,14,15)
InChIKeyWKDVKLFYCPYQST-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.04
Rot. Bonds3

About 2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 114387899) has the molecular formula C8H8N6OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID114387899
Molecular FormulaC8H8N6OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2nccnn2)cs1
InChIInChI=1S/C8H8N6OS/c9-3-6-12-5(4-16-6)7(15)13-8-10-1-2-11-14-8/h1-2,4H,3,9H2,(H,10,13,14,15)
InChIKeyWKDVKLFYCPYQST-UHFFFAOYSA-N
XLogP0.04
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazole-4-carboxamide
CID 107625791
2-(aminomethyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 66377402
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(1,2,4-triazin-3-yl)acetamide
CID 114388829
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazole-4-carboxamide
CID 115564435
2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66377243
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 66377879
2-(aminomethyl)-N-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66375890
2-(aminomethyl)-N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 66378461
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779356

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide (CID 114387899) is 2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)Nc2nccnn2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WKDVKLFYCPYQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6OS/c9-3-6-12-5(4-16-6)7(15)13-8-10-1-2-11-14-8/h1-2,4H,3,9H2,(H,10,13,14,15).
What are the key properties of 2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1,2,4-triazin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114387899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).