4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine

C16H13N5OS — CID 177381116

IUPAC4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1Nc1nc(-c2cnc3ncccn23)cs1
InChIInChI=1S/C16H13N5OS/c1-22-14-6-3-2-5-11(14)19-16-20-12(10-23-16)13-9-18-15-17-7-4-8-21(13)15/h2-10H,1H3,(H,19,20)
InChIKeyQKCFQXQTQIWXPO-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.61
Rot. Bonds4

About 4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine

4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 177381116) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID177381116
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC Name4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1Nc1nc(-c2cnc3ncccn23)cs1
InChIInChI=1S/C16H13N5OS/c1-22-14-6-3-2-5-11(14)19-16-20-12(10-23-16)13-9-18-15-17-7-4-8-21(13)15/h2-10H,1H3,(H,19,20)
InChIKeyQKCFQXQTQIWXPO-UHFFFAOYSA-N
XLogP3.61
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine (CID 177381116) is 4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccccc1Nc1nc(-c2cnc3ncccn23)cs1.
What is the InChIKey of 4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is QKCFQXQTQIWXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-22-14-6-3-2-5-11(14)19-16-20-12(10-23-16)13-9-18-15-17-7-4-8-21(13)15/h2-10H,1H3,(H,19,20).
What are the key properties of 4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine?
4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 323.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,2-a]pyrimidin-3-yl-N-(2-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 177381116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).