N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C16H16N4OS — CID 110862125

IUPACN-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cn2ccsc2n1
InChIInChI=1S/C16H16N4OS/c21-15(14-11-20-9-10-22-16(20)18-14)17-12-3-5-13(6-4-12)19-7-1-2-8-19/h3-6,9-11H,1-2,7-8H2,(H,17,21)
InChIKeySXVUUOYNNOXFRR-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.25
Rot. Bonds3

About N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 110862125) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID110862125
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cn2ccsc2n1
InChIInChI=1S/C16H16N4OS/c21-15(14-11-20-9-10-22-16(20)18-14)17-12-3-5-13(6-4-12)19-7-1-2-8-19/h3-6,9-11H,1-2,7-8H2,(H,17,21)
InChIKeySXVUUOYNNOXFRR-UHFFFAOYSA-N
XLogP3.25
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134707339
7-methyl-N-(4-piperidin-1-ylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 26721608
N-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 130283677
N-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110862757
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 134030415
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778520
N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 110862074
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34739366
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 110862125) is N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cn2ccsc2n1.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is SXVUUOYNNOXFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-15(14-11-20-9-10-22-16(20)18-14)17-12-3-5-13(6-4-12)19-7-1-2-8-19/h3-6,9-11H,1-2,7-8H2,(H,17,21).
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 110862125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).