5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide

C18H17N5O2S2 — CID 58163766

IUPAC5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(Nc2nc(-c3c(C)nc4c(OC)cccn34)cs2)s1
InChIInChI=1S/C18H17N5O2S2/c1-10-15(23-8-4-5-12(25-3)16(23)20-10)11-9-26-18(21-11)22-14-7-6-13(27-14)17(24)19-2/h4-9H,1-3H3,(H,19,24)(H,21,22)
InChIKeyMMZOBPGHDHIBKJ-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.94
Rot. Bonds5

About 5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide

5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide (PubChem CID 58163766) has the molecular formula C18H17N5O2S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide
PubChem CID58163766
Molecular FormulaC18H17N5O2S2
Molecular Weight399.50 g/mol
Exact Mass399.08
IUPAC Name5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(Nc2nc(-c3c(C)nc4c(OC)cccn34)cs2)s1
InChIInChI=1S/C18H17N5O2S2/c1-10-15(23-8-4-5-12(25-3)16(23)20-10)11-9-26-18(21-11)22-14-7-6-13(27-14)17(24)19-2/h4-9H,1-3H3,(H,19,24)(H,21,22)
InChIKeyMMZOBPGHDHIBKJ-UHFFFAOYSA-N
XLogP3.94
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide (CID 58163766) is 5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide is CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4c(OC)cccn34)cs2)s1.
What is the InChIKey of 5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide?
The InChIKey is MMZOBPGHDHIBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S2/c1-10-15(23-8-4-5-12(25-3)16(23)20-10)11-9-26-18(21-11)22-14-7-6-13(27-14)17(24)19-2/h4-9H,1-3H3,(H,19,24)(H,21,22).
What are the key properties of 5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide?
5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 58163766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).