N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide

C21H17N3OS — CID 26953310

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2)cs1
InChIInChI=1S/C21H17N3OS/c1-15-22-20(14-26-15)16-4-8-18(9-5-16)23-21(25)17-6-10-19(11-7-17)24-12-2-3-13-24/h2-14H,1H3,(H,23,25)
InChIKeyXRZJSKJHUYDQON-UHFFFAOYSA-N
MW359.45 g/mol
LogP5.16
Rot. Bonds4

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

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide (PubChem CID 26953310) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
PubChem CID26953310
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2)cs1
InChIInChI=1S/C21H17N3OS/c1-15-22-20(14-26-15)16-4-8-18(9-5-16)23-21(25)17-6-10-19(11-7-17)24-12-2-3-13-24/h2-14H,1H3,(H,23,25)
InChIKeyXRZJSKJHUYDQON-UHFFFAOYSA-N
XLogP5.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
tert-butyl N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55414687
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
N-(2-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037594
2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide
CID 167960554
N-(2-iodophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 126092839
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 166413633
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3,5-dinitrobenzamide
CID 23764172

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide (CID 26953310) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide is Cc1nc(-c2ccc(NC(=O)c3ccc(-n4cccc4)cc3)cc2)cs1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is XRZJSKJHUYDQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-15-22-20(14-26-15)16-4-8-18(9-5-16)23-21(25)17-6-10-19(11-7-17)24-12-2-3-13-24/h2-14H,1H3,(H,23,25).
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 359.45 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 26953310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).