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

C18H17N5OS — CID 1041641

IUPACN-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCCOc1ccccc1Nc1nc(-c2c(C)nc3ncccn23)cs1
InChIInChI=1S/C18H17N5OS/c1-3-24-15-8-5-4-7-13(15)21-18-22-14(11-25-18)16-12(2)20-17-19-9-6-10-23(16)17/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyBAZTXXSMGMEGHK-UHFFFAOYSA-N
MW351.44 g/mol
LogP4.30
Rot. Bonds5

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

N-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 1041641) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
PubChem CID1041641
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC NameN-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCCOc1ccccc1Nc1nc(-c2c(C)nc3ncccn23)cs1
InChIInChI=1S/C18H17N5OS/c1-3-24-15-8-5-4-7-13(15)21-18-22-14(11-25-18)16-12(2)20-17-19-9-6-10-23(16)17/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyBAZTXXSMGMEGHK-UHFFFAOYSA-N
XLogP4.30
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (CID 1041641) is N-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is CCOc1ccccc1Nc1nc(-c2c(C)nc3ncccn23)cs1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is BAZTXXSMGMEGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-3-24-15-8-5-4-7-13(15)21-18-22-14(11-25-18)16-12(2)20-17-19-9-6-10-23(16)17/h4-11H,3H2,1-2H3,(H,21,22).
What are the key properties of N-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
N-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 351.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1041641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).