(2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide

C14H17N3O2S — CID 119264683

IUPAC(2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2nc(NC(=O)[C@@H](C)N)sc2C)cc1
InChIInChI=1S/C14H17N3O2S/c1-8(15)13(18)17-14-16-12(9(2)20-14)10-4-6-11(19-3)7-5-10/h4-8H,15H2,1-3H3,(H,16,17,18)/t8-/m1/s1
InChIKeyUTFMMWFOALMREW-MRVPVSSYSA-N
MW291.38 g/mol
LogP2.41
Rot. Bonds4

About (2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide

(2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (PubChem CID 119264683) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
PubChem CID119264683
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name(2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2nc(NC(=O)[C@@H](C)N)sc2C)cc1
InChIInChI=1S/C14H17N3O2S/c1-8(15)13(18)17-14-16-12(9(2)20-14)10-4-6-11(19-3)7-5-10/h4-8H,15H2,1-3H3,(H,16,17,18)/t8-/m1/s1
InChIKeyUTFMMWFOALMREW-MRVPVSSYSA-N
XLogP2.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
2-amino-3-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 120984258
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 4812491
(2S)-2-amino-3-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119267022
1-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119677238
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methylthiophene-2-carboxamide
CID 4812490
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 7916082
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (CID 119264683) is (2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide is COc1ccc(-c2nc(NC(=O)[C@@H](C)N)sc2C)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is UTFMMWFOALMREW-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8(15)13(18)17-14-16-12(9(2)20-14)10-4-6-11(19-3)7-5-10/h4-8H,15H2,1-3H3,(H,16,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
(2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 291.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 119264683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).