N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C16H13N5O2S — CID 70786653

IUPACN-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)c1cn2ccsc2n1
InChIInChI=1S/C16H13N5O2S/c1-20(15(22)14-10-21-6-7-24-16(21)18-14)9-12-8-13(19-23-12)11-2-4-17-5-3-11/h2-8,10H,9H2,1H3
InChIKeyFLMGPWXVOPVQHX-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.72
Rot. Bonds4

About N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 70786653) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID70786653
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC NameN-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)c1cn2ccsc2n1
InChIInChI=1S/C16H13N5O2S/c1-20(15(22)14-10-21-6-7-24-16(21)18-14)9-12-8-13(19-23-12)11-2-4-17-5-3-11/h2-8,10H,9H2,1H3
InChIKeyFLMGPWXVOPVQHX-UHFFFAOYSA-N
XLogP2.72
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 70786653) is N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is CN(Cc1cc(-c2ccncc2)no1)C(=O)c1cn2ccsc2n1.
What is the InChIKey of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is FLMGPWXVOPVQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-20(15(22)14-10-21-6-7-24-16(21)18-14)9-12-8-13(19-23-12)11-2-4-17-5-3-11/h2-8,10H,9H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 70786653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).