N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

C21H17N5OS — CID 121031180

IUPACN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H17N5OS/c27-20(18-12-17(24-25-18)14-5-2-1-3-6-14)22-16-8-4-7-15(11-16)19-13-26-9-10-28-21(26)23-19/h1-8,11-13H,9-10H2,(H,22,27)(H,24,25)
InChIKeyJEZFCCIFONOEDW-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.30
Rot. Bonds4

About N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 121031180) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID121031180
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C21H17N5OS/c27-20(18-12-17(24-25-18)14-5-2-1-3-6-14)22-16-8-4-7-15(11-16)19-13-26-9-10-28-21(26)23-19/h1-8,11-13H,9-10H2,(H,22,27)(H,24,25)
InChIKeyJEZFCCIFONOEDW-UHFFFAOYSA-N
XLogP4.30
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
CID 40506211
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxyacetamide
CID 40506262
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 121031113
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 121031173
5-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-methoxybenzamide
CID 40506234
2-(3-bromophenyl)-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]acetamide
CID 40506227
4-chloro-N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-nitrobenzamide
CID 40506251
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 40506233
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(3,5-dimethylphenoxy)propanamide
CID 121031089
2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506421
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 121031186
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121031083

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 121031180) is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is JEZFCCIFONOEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c27-20(18-12-17(24-25-18)14-5-2-1-3-6-14)22-16-8-4-7-15(11-16)19-13-26-9-10-28-21(26)23-19/h1-8,11-13H,9-10H2,(H,22,27)(H,24,25).
What are the key properties of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121031180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).