4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide

C16H21N3O2S — CID 51185357

IUPAC4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)12-6-4-11(5-7-12)14(21)18-10-13(20)19-15-17-8-9-22-15/h4-7H,8-10H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyDXNKZEWVKKTWLU-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.93
Rot. Bonds3

About 4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide

4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide (PubChem CID 51185357) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide
PubChem CID51185357
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)12-6-4-11(5-7-12)14(21)18-10-13(20)19-15-17-8-9-22-15/h4-7H,8-10H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyDXNKZEWVKKTWLU-UHFFFAOYSA-N
XLogP1.93
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001418
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
N-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 2110722
1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
CID 158823492
3-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700956
N-[2-(4-tert-butylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 27258854
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
CID 32988009
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 47231516
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide
CID 9111149

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide (CID 51185357) is 4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide?
The InChIKey is DXNKZEWVKKTWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-16(2,3)12-6-4-11(5-7-12)14(21)18-10-13(20)19-15-17-8-9-22-15/h4-7H,8-10H2,1-3H3,(H,18,21)(H,17,19,20).
What are the key properties of 4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide has a molecular weight of 319.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 51185357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).