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

C17H22N2O2S — CID 110409132

IUPAC3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C17H22N2O2S/c1-17(2,3)14-11-22-16(19-14)9-8-15(20)18-12-6-5-7-13(10-12)21-4/h5-7,10-11H,8-9H2,1-4H3,(H,18,20)
InChIKeyKYQPVTAJARSTHX-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.02
Rot. Bonds5

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

3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide (PubChem CID 110409132) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide
PubChem CID110409132
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C17H22N2O2S/c1-17(2,3)14-11-22-16(19-14)9-8-15(20)18-12-6-5-7-13(10-12)21-4/h5-7,10-11H,8-9H2,1-4H3,(H,18,20)
InChIKeyKYQPVTAJARSTHX-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
N-(3-cyanophenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 110428502
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
N-(3-methoxyphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 15990412
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide (CID 110409132) is 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCc2nc(C(C)(C)C)cs2)c1.
What is the InChIKey of 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide?
The InChIKey is KYQPVTAJARSTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-17(2,3)14-11-22-16(19-14)9-8-15(20)18-12-6-5-7-13(10-12)21-4/h5-7,10-11H,8-9H2,1-4H3,(H,18,20).
What are the key properties of 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide?
3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide has a molecular weight of 318.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 110409132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).