N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide

C17H22N2OS — CID 110333523

IUPACN-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
SMILESCc1ccc(-c2nc(CCC(=O)NC(C)(C)C)cs2)cc1
InChIInChI=1S/C17H22N2OS/c1-12-5-7-13(8-6-12)16-18-14(11-21-16)9-10-15(20)19-17(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,19,20)
InChIKeyHVHVZHBWJRFFOU-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.97
Rot. Bonds4

About N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide

N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide (PubChem CID 110333523) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
PubChem CID110333523
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
SMILESCc1ccc(-c2nc(CCC(=O)NC(C)(C)C)cs2)cc1
InChIInChI=1S/C17H22N2OS/c1-12-5-7-13(8-6-12)16-18-14(11-21-16)9-10-15(20)19-17(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,19,20)
InChIKeyHVHVZHBWJRFFOU-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333309
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17398651
N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide
CID 8767147
N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110406262
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 51106179
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522183
N-tert-butyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 56808147
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333516

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide (CID 110333523) is N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide is Cc1ccc(-c2nc(CCC(=O)NC(C)(C)C)cs2)cc1.
What is the InChIKey of N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide?
The InChIKey is HVHVZHBWJRFFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-5-7-13(8-6-12)16-18-14(11-21-16)9-10-15(20)19-17(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide?
N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide has a molecular weight of 302.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 110333523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).