N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

C17H17N5O2S — CID 78858319

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)NCc3cn4ccsc4n3)c2C)no1
InChIInChI=1S/C17H17N5O2S/c1-10-6-14(12(3)22(10)15-7-11(2)24-20-15)16(23)18-8-13-9-21-4-5-25-17(21)19-13/h4-7,9H,8H2,1-3H3,(H,18,23)
InChIKeyKGHLDSBTLORGFJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.03
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (PubChem CID 78858319) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
PubChem CID78858319
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
SMILESCc1cc(-n2c(C)cc(C(=O)NCc3cn4ccsc4n3)c2C)no1
InChIInChI=1S/C17H17N5O2S/c1-10-6-14(12(3)22(10)15-7-11(2)24-20-15)16(23)18-8-13-9-21-4-5-25-17(21)19-13/h4-7,9H,8H2,1-3H3,(H,18,23)
InChIKeyKGHLDSBTLORGFJ-UHFFFAOYSA-N
XLogP3.03
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8817965
N-[[4-(dimethylamino)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30186519
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 120650270
N-[2-(4-aminophenyl)ethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 119548480
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 78851235
N-[2-(2,6-dimethylphenoxy)ethyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78876067
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-3-methylurea
CID 53498550
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78871532
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 3658662
2,5-dimethyl-N-(2-methyl-3-morpholin-4-ylpropyl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 136527092
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrrole-3-carboxamide
CID 112829749
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride
CID 119461980

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide (CID 78858319) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is Cc1cc(-n2c(C)cc(C(=O)NCc3cn4ccsc4n3)c2C)no1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
The InChIKey is KGHLDSBTLORGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-10-6-14(12(3)22(10)15-7-11(2)24-20-15)16(23)18-8-13-9-21-4-5-25-17(21)19-13/h4-7,9H,8H2,1-3H3,(H,18,23).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 78858319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).