N-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine

C19H18N4S — CID 2902406

IUPACN-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCc1ccn2c(-c3csc(NCc4ccccc4)n3)c(C)nc2c1
InChIInChI=1S/C19H18N4S/c1-13-8-9-23-17(10-13)21-14(2)18(23)16-12-24-19(22-16)20-11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyQLNGOMDFWHNADQ-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.69
Rot. Bonds4

About N-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine

N-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (PubChem CID 2902406) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
PubChem CID2902406
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC NameN-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCc1ccn2c(-c3csc(NCc4ccccc4)n3)c(C)nc2c1
InChIInChI=1S/C19H18N4S/c1-13-8-9-23-17(10-13)21-14(2)18(23)16-12-24-19(22-16)20-11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyQLNGOMDFWHNADQ-UHFFFAOYSA-N
XLogP4.69
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (CID 2902406) is N-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is Cc1ccn2c(-c3csc(NCc4ccccc4)n3)c(C)nc2c1.
What is the InChIKey of N-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is QLNGOMDFWHNADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-13-8-9-23-17(10-13)21-14(2)18(23)16-12-24-19(22-16)20-11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
N-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 334.45 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2902406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).