N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide

C18H19N3OS2 — CID 169411645

IUPACN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide
SMILESCC(C)c1nc(CCNC(=O)c2cccc(-c3ccns3)c2)cs1
InChIInChI=1S/C18H19N3OS2/c1-12(2)18-21-15(11-23-18)6-8-19-17(22)14-5-3-4-13(10-14)16-7-9-20-24-16/h3-5,7,9-12H,6,8H2,1-2H3,(H,19,22)
InChIKeyMYSFJPMWHQYIQD-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.36
Rot. Bonds6

About N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide

N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide (PubChem CID 169411645) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide
PubChem CID169411645
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC NameN-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide
SMILESCC(C)c1nc(CCNC(=O)c2cccc(-c3ccns3)c2)cs1
InChIInChI=1S/C18H19N3OS2/c1-12(2)18-21-15(11-23-18)6-8-19-17(22)14-5-3-4-13(10-14)16-7-9-20-24-16/h3-5,7,9-12H,6,8H2,1-2H3,(H,19,22)
InChIKeyMYSFJPMWHQYIQD-UHFFFAOYSA-N
XLogP4.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide with MolForge

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Related Compounds

5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide
CID 118770282
5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 91761022
4-hydroxy-3-nitro-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 75452335
5-(methylsulfamoyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide
CID 126784875
2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119183061
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
3-cyano-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728060
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide
CID 126782331
2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869430
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 146075368

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide?
The IUPAC name of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide (CID 169411645) is N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide?
The canonical SMILES for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide is CC(C)c1nc(CCNC(=O)c2cccc(-c3ccns3)c2)cs1.
What is the InChIKey of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide?
The InChIKey is MYSFJPMWHQYIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-12(2)18-21-15(11-23-18)6-8-19-17(22)14-5-3-4-13(10-14)16-7-9-20-24-16/h3-5,7,9-12H,6,8H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide?
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide has a molecular weight of 357.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide is sourced from PubChem (CID 169411645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).