N-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide

C19H15N3OS — CID 127046529

IUPACN-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESN#Cc1cccc(-c2csc(CCNC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C19H15N3OS/c20-12-14-5-4-8-16(11-14)17-13-24-18(22-17)9-10-21-19(23)15-6-2-1-3-7-15/h1-8,11,13H,9-10H2,(H,21,23)
InChIKeyNKQIAKWUCQBNLY-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.65
Rot. Bonds5

About N-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide

N-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (PubChem CID 127046529) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
PubChem CID127046529
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESN#Cc1cccc(-c2csc(CCNC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C19H15N3OS/c20-12-14-5-4-8-16(11-14)17-13-24-18(22-17)9-10-21-19(23)15-6-2-1-3-7-15/h1-8,11,13H,9-10H2,(H,21,23)
InChIKeyNKQIAKWUCQBNLY-UHFFFAOYSA-N
XLogP3.65
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 73504380
CID 73504380
CID 7119106
CID 7119106
CID 16032033
CID 16032033
CID 7216615
CID 7216615
CID 11034349
CID 11034349
CID 11641509
CID 11641509
CID 11705688
CID 11705688
CID 1331233
CID 1331233
CID 2986205
CID 2986205
CID 785022
CID 785022
CID 3734285
CID 3734285
CID 5310230
CID 5310230

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (CID 127046529) is N-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is N#Cc1cccc(-c2csc(CCNC(=O)c3ccccc3)n2)c1.
What is the InChIKey of N-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The InChIKey is NKQIAKWUCQBNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c20-12-14-5-4-8-16(11-14)17-13-24-18(22-17)9-10-21-19(23)15-6-2-1-3-7-15/h1-8,11,13H,9-10H2,(H,21,23).
What are the key properties of N-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
N-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide has a molecular weight of 333.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 127046529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).