N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine

C14H14N8S — CID 29209207

IUPACN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCn1ncnc1-c1ccnc(NCCc2cn3ccsc3n2)n1
InChIInChI=1S/C14H14N8S/c1-21-12(17-9-18-21)11-3-5-16-13(20-11)15-4-2-10-8-22-6-7-23-14(22)19-10/h3,5-9H,2,4H2,1H3,(H,15,16,20)
InChIKeyCDMGDCKCRUPUFH-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.64
Rot. Bonds5

About N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (PubChem CID 29209207) has the molecular formula C14H14N8S and a molecular weight of 326.39 g/mol. Its IUPAC name is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
PubChem CID29209207
Molecular FormulaC14H14N8S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILESCn1ncnc1-c1ccnc(NCCc2cn3ccsc3n2)n1
InChIInChI=1S/C14H14N8S/c1-21-12(17-9-18-21)11-3-5-16-13(20-11)15-4-2-10-8-22-6-7-23-14(22)19-10/h3,5-9H,2,4H2,1H3,(H,15,16,20)
InChIKeyCDMGDCKCRUPUFH-UHFFFAOYSA-N
XLogP1.64
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine (CID 29209207) is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is Cn1ncnc1-c1ccnc(NCCc2cn3ccsc3n2)n1.
What is the InChIKey of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
The InChIKey is CDMGDCKCRUPUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8S/c1-21-12(17-9-18-21)11-3-5-16-13(20-11)15-4-2-10-8-22-6-7-23-14(22)19-10/h3,5-9H,2,4H2,1H3,(H,15,16,20).
What are the key properties of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine?
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine has a molecular weight of 326.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 29209207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).