N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide

C17H18N6OS — CID 68563618

IUPACN-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cnnc(NCc2nc(C)c(C)s2)n1
InChIInChI=1S/C17H18N6OS/c1-10-11(2)25-16(20-10)9-18-17-22-15(8-19-23-17)13-6-4-5-7-14(13)21-12(3)24/h4-8H,9H2,1-3H3,(H,21,24)(H,18,22,23)
InChIKeyLNKUAQSVIPOYHG-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.18
Rot. Bonds5

About N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide

N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide (PubChem CID 68563618) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide
PubChem CID68563618
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC NameN-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1cnnc(NCc2nc(C)c(C)s2)n1
InChIInChI=1S/C17H18N6OS/c1-10-11(2)25-16(20-10)9-18-17-22-15(8-19-23-17)13-6-4-5-7-14(13)21-12(3)24/h4-8H,9H2,1-3H3,(H,21,24)(H,18,22,23)
InChIKeyLNKUAQSVIPOYHG-UHFFFAOYSA-N
XLogP3.18
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide?
The IUPAC name of N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide (CID 68563618) is N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1cnnc(NCc2nc(C)c(C)s2)n1.
What is the InChIKey of N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide?
The InChIKey is LNKUAQSVIPOYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-10-11(2)25-16(20-10)9-18-17-22-15(8-19-23-17)13-6-4-5-7-14(13)21-12(3)24/h4-8H,9H2,1-3H3,(H,21,24)(H,18,22,23).
What are the key properties of N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide?
N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide has a molecular weight of 354.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]phenyl]acetamide is sourced from PubChem (CID 68563618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).