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

C21H18N4OS — CID 110305177

IUPACN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H18N4OS/c26-20(16-5-3-7-19(13-16)25-11-1-2-12-25)23-10-8-18-15-27-21(24-18)17-6-4-9-22-14-17/h1-7,9,11-15H,8,10H2,(H,23,26)
InChIKeyLPLXQPAAGLETHU-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.97
Rot. Bonds6

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

N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide (PubChem CID 110305177) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide
PubChem CID110305177
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H18N4OS/c26-20(16-5-3-7-19(13-16)25-11-1-2-12-25)23-10-8-18-15-27-21(24-18)17-6-4-9-22-14-17/h1-7,9,11-15H,8,10H2,(H,23,26)
InChIKeyLPLXQPAAGLETHU-UHFFFAOYSA-N
XLogP3.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70720614
6-amino-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 91765071
6-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 110624969
3-methyl-4-nitro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7163672
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 5310118
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500659
2-amino-6-propan-2-yl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-4-carboxamide
CID 91789629
3-(pentafluoro-λ6-sulfanyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162654564
3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 50949722
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
(3R)-1,1-dioxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiolane-3-carboxamide
CID 125165412

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide (CID 110305177) is N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide is O=C(NCCc1csc(-c2cccnc2)n1)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide?
The InChIKey is LPLXQPAAGLETHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c26-20(16-5-3-7-19(13-16)25-11-1-2-12-25)23-10-8-18-15-27-21(24-18)17-6-4-9-22-14-17/h1-7,9,11-15H,8,10H2,(H,23,26).
What are the key properties of N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide?
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 374.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110305177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).