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

C19H27N3O2S — CID 2936726

IUPAC4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1=NCCS1
InChIInChI=1S/C19H27N3O2S/c1-12(2)15(17(24)22-18-20-10-11-25-18)21-16(23)13-6-8-14(9-7-13)19(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H,21,23)(H,20,22,24)
InChIKeyBZFSDAVTASDSDP-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.96
Rot. Bonds4

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

4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 2936726) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID2936726
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1=NCCS1
InChIInChI=1S/C19H27N3O2S/c1-12(2)15(17(24)22-18-20-10-11-25-18)21-16(23)13-6-8-14(9-7-13)19(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H,21,23)(H,20,22,24)
InChIKeyBZFSDAVTASDSDP-UHFFFAOYSA-N
XLogP2.96
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 745463
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 892629
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-fluorobenzamide
CID 3827619
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-isopropylbenzamide
CID 802139
N-Cyclopentyl-4-{2-[(S)-1-(4-fluorophenyl)ethylamino]-5-methyl-4-oxo-4,5-dihydrothiazol-5-yl}benzamide
CID 135610998
N-Cyclopropyl-4-{2-[(S)-1-(4-fluorophenyl)ethylamino]-5-methyl-4-oxo-4,5-dihydrothiazol-5-yl}benzamide
CID 135857020
N-[1-(4,5-Dihydro-thiazol-2-ylcarbamoyl)-2-methyl-propyl]-benzamide
CID 2942103
2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2997722
N-[(2S)-1-[[(2S)-6-amino-1-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-[(Z)-[3-(3,3-dimethylbutyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzamide
CID 122184728
N-[(2S)-1-[[(1S)-1-cyano-3-methylsulfanylpropyl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide
CID 127052308
4-Bromo-N-[1-(4,5-dihydro-thiazol-2-ylcarbamoyl)-2-methyl-propyl]-benzamide
CID 2941206
4-chloro-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-methyl-2-oxoethyl]benzamide
CID 3245252

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 2936726) is 4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1=NCCS1.
What is the InChIKey of 4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is BZFSDAVTASDSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-12(2)15(17(24)22-18-20-10-11-25-18)21-16(23)13-6-8-14(9-7-13)19(3,4)5/h6-9,12,15H,10-11H2,1-5H3,(H,21,23)(H,20,22,24).
What are the key properties of 4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 361.51 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 2936726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).