3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide

C16H20N2OS — CID 19221204

IUPAC3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-16(2,3)13-7-4-12(5-8-13)6-9-14(19)18-15-17-10-11-20-15/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,17,18,19)
InChIKeyDXFCQDFEMQESNJ-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.01
Rot. Bonds4

About 3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide

3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 19221204) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID19221204
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H20N2OS/c1-16(2,3)13-7-4-12(5-8-13)6-9-14(19)18-15-17-10-11-20-15/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,17,18,19)
InChIKeyDXFCQDFEMQESNJ-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
CID 8762604
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3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 47298454
N,N'-bis(1,3-thiazol-2-yl)decanediamide
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4-(2-bromo-4-tert-butylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 19202115
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 8762980
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 110678766
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868
3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide
CID 142405268
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19221286

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 19221204) is 3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is DXFCQDFEMQESNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-16(2,3)13-7-4-12(5-8-13)6-9-14(19)18-15-17-10-11-20-15/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,17,18,19).
What are the key properties of 3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 288.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 19221204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).