N-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine

C18H17N5O2S — CID 1283095

IUPACN-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c1
InChIInChI=1S/C18H17N5O2S/c1-11-16(23-8-4-7-19-17(23)20-11)14-10-26-18(22-14)21-13-9-12(24-2)5-6-15(13)25-3/h4-10H,1-3H3,(H,21,22)
InChIKeyKVJBIOMLVCOHKA-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.92
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine

N-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 1283095) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
PubChem CID1283095
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c1
InChIInChI=1S/C18H17N5O2S/c1-11-16(23-8-4-7-19-17(23)20-11)14-10-26-18(22-14)21-13-9-12(24-2)5-6-15(13)25-3/h4-10H,1-3H3,(H,21,22)
InChIKeyKVJBIOMLVCOHKA-UHFFFAOYSA-N
XLogP3.92
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (CID 1283095) is N-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is COc1ccc(OC)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is KVJBIOMLVCOHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-11-16(23-8-4-7-19-17(23)20-11)14-10-26-18(22-14)21-13-9-12(24-2)5-6-15(13)25-3/h4-10H,1-3H3,(H,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
N-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 367.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1283095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).