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

C17H22N2O2S — CID 110333309

IUPACN-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccc(-c2nc(CCC(=O)NC(C)(C)C)cs2)cc1
InChIInChI=1S/C17H22N2O2S/c1-17(2,3)19-15(20)10-7-13-11-22-16(18-13)12-5-8-14(21-4)9-6-12/h5-6,8-9,11H,7,10H2,1-4H3,(H,19,20)
InChIKeyVNMYDJUAWOOWTE-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.67
Rot. Bonds5

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

N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide (PubChem CID 110333309) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
PubChem CID110333309
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccc(-c2nc(CCC(=O)NC(C)(C)C)cs2)cc1
InChIInChI=1S/C17H22N2O2S/c1-17(2,3)19-15(20)10-7-13-11-22-16(18-13)12-5-8-14(21-4)9-6-12/h5-6,8-9,11H,7,10H2,1-4H3,(H,19,20)
InChIKeyVNMYDJUAWOOWTE-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333523
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333335
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide
CID 72719801
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330031
ethyl N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110317496
N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333343
1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317498
N-(2-cyanopropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110406262

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide (CID 110333309) is N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide is COc1ccc(-c2nc(CCC(=O)NC(C)(C)C)cs2)cc1.
What is the InChIKey of N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide?
The InChIKey is VNMYDJUAWOOWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-17(2,3)19-15(20)10-7-13-11-22-16(18-13)12-5-8-14(21-4)9-6-12/h5-6,8-9,11H,7,10H2,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide?
N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide has a molecular weight of 318.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 110333309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).