N-(1,3-benzodioxol-5-yl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine

C18H13FN4O2S — CID 57490448

IUPACN-(1,3-benzodioxol-5-yl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc2ccc(F)cn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H13FN4O2S/c1-10-17(23-7-11(19)2-5-16(23)20-10)13-8-26-18(22-13)21-12-3-4-14-15(6-12)25-9-24-14/h2-8H,9H2,1H3,(H,21,22)
InChIKeyHALKDPAJZHTODM-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.38
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine

N-(1,3-benzodioxol-5-yl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (PubChem CID 57490448) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
PubChem CID57490448
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc2ccc(F)cn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H13FN4O2S/c1-10-17(23-7-11(19)2-5-16(23)20-10)13-8-26-18(22-13)21-12-3-4-14-15(6-12)25-9-24-14/h2-8H,9H2,1H3,(H,21,22)
InChIKeyHALKDPAJZHTODM-UHFFFAOYSA-N
XLogP4.38
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.38
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-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (CID 57490448) is N-(1,3-benzodioxol-5-yl)-4-(6-fluoro-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-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is Cc1nc2ccc(F)cn2c1-c1csc(Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is HALKDPAJZHTODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c1-10-17(23-7-11(19)2-5-16(23)20-10)13-8-26-18(22-13)21-12-3-4-14-15(6-12)25-9-24-14/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
N-(1,3-benzodioxol-5-yl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 368.39 g/mol, XLogP of 4.38, 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-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 57490448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).