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

C19H26N2OS — CID 110440220

IUPAC4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(C)c1csc(CCNC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H26N2OS/c1-13(2)16-12-23-17(21-16)10-11-20-18(22)14-6-8-15(9-7-14)19(3,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,20,22)
InChIKeyTUBGZWCECHEVCO-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.54
Rot. Bonds5

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

4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 110440220) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID110440220
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(C)c1csc(CCNC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H26N2OS/c1-13(2)16-12-23-17(21-16)10-11-20-18(22)14-6-8-15(9-7-14)19(3,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,20,22)
InChIKeyTUBGZWCECHEVCO-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110444853
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110444040
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 122565410
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
CID 110440180
4-(hydroxymethyl)-5-methyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 77092555
3-(dimethylamino)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442482
3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 54773874
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-tert-butylbenzamide
CID 46823819
4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 71993341
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648392

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide (CID 110440220) is 4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide is CC(C)c1csc(CCNC(=O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is TUBGZWCECHEVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-13(2)16-12-23-17(21-16)10-11-20-18(22)14-6-8-15(9-7-14)19(3,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,20,22).
What are the key properties of 4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 330.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110440220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).