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

C18H14N4O2S — CID 44602760

IUPACN-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H14N4O2S/c1-11-17(22-7-3-2-4-16(22)19-11)13-9-25-18(21-13)20-12-5-6-14-15(8-12)24-10-23-14/h2-9H,10H2,1H3,(H,20,21)
InChIKeyNKFHVXVUYDKXBJ-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.24
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (PubChem CID 44602760) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
PubChem CID44602760
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H14N4O2S/c1-11-17(22-7-3-2-4-16(22)19-11)13-9-25-18(21-13)20-12-5-6-14-15(8-12)24-10-23-14/h2-9H,10H2,1H3,(H,20,21)
InChIKeyNKFHVXVUYDKXBJ-UHFFFAOYSA-N
XLogP4.24
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (CID 44602760) is N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is Cc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is NKFHVXVUYDKXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-11-17(22-7-3-2-4-16(22)19-11)13-9-25-18(21-13)20-12-5-6-14-15(8-12)24-10-23-14/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 350.40 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 44602760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).