N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride

C19H19ClN2OS — CID 52984164

IUPACN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
SMILESCc1nc(-c2ccc(CCNC(=O)c3ccccc3)cc2)cs1.Cl
InChIInChI=1S/C19H18N2OS.ClH/c1-14-21-18(13-23-14)16-9-7-15(8-10-16)11-12-20-19(22)17-5-3-2-4-6-17;/h2-10,13H,11-12H2,1H3,(H,20,22);1H
InChIKeyVDGFCCLCTHRNRL-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.51
Rot. Bonds5

About N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride

N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride (PubChem CID 52984164) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
PubChem CID52984164
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC NameN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
SMILESCc1nc(-c2ccc(CCNC(=O)c3ccccc3)cc2)cs1.Cl
InChIInChI=1S/C19H18N2OS.ClH/c1-14-21-18(13-23-14)16-9-7-15(8-10-16)11-12-20-19(22)17-5-3-2-4-6-17;/h2-10,13H,11-12H2,1H3,(H,20,22);1H
InChIKeyVDGFCCLCTHRNRL-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
4-cyano-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568157
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24552868
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 25401259
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568214
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1,3-benzothiazole-6-carboxamide
CID 9292042
ethyl N-[3-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]phenyl]carbamate
CID 24552952
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
(E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide
CID 55434215
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride (CID 52984164) is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride is Cc1nc(-c2ccc(CCNC(=O)c3ccccc3)cc2)cs1.Cl.
What is the InChIKey of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride?
The InChIKey is VDGFCCLCTHRNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS.ClH/c1-14-21-18(13-23-14)16-9-7-15(8-10-16)11-12-20-19(22)17-5-3-2-4-6-17;/h2-10,13H,11-12H2,1H3,(H,20,22);1H.
What are the key properties of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride?
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride has a molecular weight of 358.89 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 52984164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).