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

C17H16BrN5OS — CID 2877735

IUPACN-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccccc1Nc1nc(-c2c(C)nc3ncccn23)cs1
InChIInChI=1S/C17H15N5OS.BrH/c1-11-15(22-9-5-8-18-16(22)19-11)13-10-24-17(21-13)20-12-6-3-4-7-14(12)23-2;/h3-10H,1-2H3,(H,20,21);1H
InChIKeyNQKDPPIDBLXFBR-UHFFFAOYSA-N
MW418.32 g/mol
LogP4.49
Rot. Bonds4

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

N-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2877735) has the molecular formula C17H16BrN5OS and a molecular weight of 418.32 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID2877735
Molecular FormulaC17H16BrN5OS
Molecular Weight418.32 g/mol
Exact Mass417.03
IUPAC NameN-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.COc1ccccc1Nc1nc(-c2c(C)nc3ncccn23)cs1
InChIInChI=1S/C17H15N5OS.BrH/c1-11-15(22-9-5-8-18-16(22)19-11)13-10-24-17(21-13)20-12-6-3-4-7-14(12)23-2;/h3-10H,1-2H3,(H,20,21);1H
InChIKeyNQKDPPIDBLXFBR-UHFFFAOYSA-N
XLogP4.49
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide (CID 2877735) is N-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide is Br.COc1ccccc1Nc1nc(-c2c(C)nc3ncccn23)cs1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is NQKDPPIDBLXFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS.BrH/c1-11-15(22-9-5-8-18-16(22)19-11)13-10-24-17(21-13)20-12-6-3-4-7-14(12)23-2;/h3-10H,1-2H3,(H,20,21);1H.
What are the key properties of N-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide?
N-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 418.32 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2877735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).