N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide

C17H22N2O2S — CID 108760271

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCc1nc(CNC(=O)C(C)Oc2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C17H22N2O2S/c1-11(2)14-5-7-16(8-6-14)21-12(3)17(20)18-9-15-10-22-13(4)19-15/h5-8,10-12H,9H2,1-4H3,(H,18,20)
InChIKeyUBNAVJISLQBECX-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.66
Rot. Bonds6

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 108760271) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID108760271
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCc1nc(CNC(=O)C(C)Oc2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C17H22N2O2S/c1-11(2)14-5-7-16(8-6-14)21-12(3)17(20)18-9-15-10-22-13(4)19-15/h5-8,10-12H,9H2,1-4H3,(H,18,20)
InChIKeyUBNAVJISLQBECX-UHFFFAOYSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3,4-dimethylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819647
(2R)-2-(4-tert-butylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 33263616
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819660
2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide
CID 24509083
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 35343158
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108760194
2-amino-2-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 106151636
(2R)-2-(4-methoxyphenoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 30955486
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 102567217
(2S)-2-(4-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819774

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 108760271) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide is Cc1nc(CNC(=O)C(C)Oc2ccc(C(C)C)cc2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is UBNAVJISLQBECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11(2)14-5-7-16(8-6-14)21-12(3)17(20)18-9-15-10-22-13(4)19-15/h5-8,10-12H,9H2,1-4H3,(H,18,20).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 318.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108760271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).