N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine

C16H14N6OS — CID 42289699

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCc3cn4ccsc4n3)n2)cc1
InChIInChI=1S/C16H14N6OS/c1-23-13-4-2-11(3-5-13)14-9-18-21-15(20-14)17-8-12-10-22-6-7-24-16(22)19-12/h2-7,9-10H,8H2,1H3,(H,17,20,21)
InChIKeyNDRZZFLWSGFXLF-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.87
Rot. Bonds5

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 42289699) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID42289699
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCc3cn4ccsc4n3)n2)cc1
InChIInChI=1S/C16H14N6OS/c1-23-13-4-2-11(3-5-13)14-9-18-21-15(20-14)17-8-12-10-22-6-7-24-16(22)19-12/h2-7,9-10H,8H2,1H3,(H,17,20,21)
InChIKeyNDRZZFLWSGFXLF-UHFFFAOYSA-N
XLogP2.87
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine (CID 42289699) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(NCc3cn4ccsc4n3)n2)cc1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is NDRZZFLWSGFXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-23-13-4-2-11(3-5-13)14-9-18-21-15(20-14)17-8-12-10-22-6-7-24-16(22)19-12/h2-7,9-10H,8H2,1H3,(H,17,20,21).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 338.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 42289699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).