N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide

C25H18ClN3O2S — CID 21285592

IUPACN-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
SMILESO=C(c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccn3c2CSC3c2cccnc2)c1
InChIInChI=1S/C25H18ClN3O2S/c26-19-8-6-16(7-9-19)23(30)17-3-1-5-20(13-17)28-24(31)21-10-12-29-22(21)15-32-25(29)18-4-2-11-27-14-18/h1-14,25H,15H2,(H,28,31)
InChIKeyOGXITOVXHIVJEA-UHFFFAOYSA-N
MW459.96 g/mol
LogP5.81
Rot. Bonds5

About N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide

N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide (PubChem CID 21285592) has the molecular formula C25H18ClN3O2S and a molecular weight of 459.96 g/mol. Its IUPAC name is N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
PubChem CID21285592
Molecular FormulaC25H18ClN3O2S
Molecular Weight459.96 g/mol
Exact Mass459.08
IUPAC NameN-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
SMILESO=C(c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccn3c2CSC3c2cccnc2)c1
InChIInChI=1S/C25H18ClN3O2S/c26-19-8-6-16(7-9-19)23(30)17-3-1-5-20(13-17)28-24(31)21-10-12-29-22(21)15-32-25(29)18-4-2-11-27-14-18/h1-14,25H,15H2,(H,28,31)
InChIKeyOGXITOVXHIVJEA-UHFFFAOYSA-N
XLogP5.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.96
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-[(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)amino]benzoyl]benzoate
CID 21285567
N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21285578
N-[3-(4-methoxyphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21285586
3-benzamido-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide;hydrate
CID 67943731
N-(6-methyl-2-pyridinyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21284366
N-[3-[(E)-N-[2-(methylamino)ethoxy]-C-phenylcarbonimidoyl]phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide;hydrochloride
CID 88502763
N-naphthalen-1-yl-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 21284358
N-[3-[C-phenyl-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide;dihydrochloride
CID 88503010
N-[3-[N-[3-[benzyl(ethyl)amino]propoxy]-C-phenylcarbonimidoyl]phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 88503160
3-fluoro-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
CID 67943742
3-phenoxy-N-(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)benzamide
CID 67943740
N-[2-chloro-5-[(E)-N-(2-morpholin-4-ylethoxy)-C-phenylcarbonimidoyl]phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
CID 88502768

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide (CID 21285592) is N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide is O=C(c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccn3c2CSC3c2cccnc2)c1.
What is the InChIKey of N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?
The InChIKey is OGXITOVXHIVJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O2S/c26-19-8-6-16(7-9-19)23(30)17-3-1-5-20(13-17)28-24(31)21-10-12-29-22(21)15-32-25(29)18-4-2-11-27-14-18/h1-14,25H,15H2,(H,28,31).
What are the key properties of N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?
N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide has a molecular weight of 459.96 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorobenzoyl)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 21285592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).