N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide

C19H18N2OS — CID 22433336

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H18N2OS/c1-2-13-21(18(22)16-11-7-4-8-12-16)19-20-17(14-23-19)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
InChIKeyYOBHRKLOIXIDCX-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.87
Rot. Bonds5

About N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide

N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide (PubChem CID 22433336) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
PubChem CID22433336
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H18N2OS/c1-2-13-21(18(22)16-11-7-4-8-12-16)19-20-17(14-23-19)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
InChIKeyYOBHRKLOIXIDCX-UHFFFAOYSA-N
XLogP4.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide (CID 22433336) is N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide is CCCN(C(=O)c1ccccc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide?
The InChIKey is YOBHRKLOIXIDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-2-13-21(18(22)16-11-7-4-8-12-16)19-20-17(14-23-19)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3.
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide?
N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide has a molecular weight of 322.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide is sourced from PubChem (CID 22433336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).