N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide

C19H14N4OS — CID 17450848

IUPACN-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H14N4OS/c24-18(14-5-7-16(8-6-14)23-10-1-2-11-23)22-19-21-17(13-25-19)15-4-3-9-20-12-15/h1-13H,(H,21,22,24)
InChIKeyLDUISDRYKSPVPN-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.25
Rot. Bonds4

About N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide

N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide (PubChem CID 17450848) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide
PubChem CID17450848
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC NameN-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H14N4OS/c24-18(14-5-7-16(8-6-14)23-10-1-2-11-23)22-19-21-17(13-25-19)15-4-3-9-20-12-15/h1-13H,(H,21,22,24)
InChIKeyLDUISDRYKSPVPN-UHFFFAOYSA-N
XLogP4.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 162386909
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055
4-ethylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 22581447
4-(diethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4142843
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 24569753
4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 43070031
4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 44993047
3-(4-fluorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
CID 18127545
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 26953310
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 75467497

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide (CID 17450848) is N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide is O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide?
The InChIKey is LDUISDRYKSPVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-18(14-5-7-16(8-6-14)23-10-1-2-11-23)22-19-21-17(13-25-19)15-4-3-9-20-12-15/h1-13H,(H,21,22,24).
What are the key properties of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide?
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide has a molecular weight of 346.42 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 17450848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).