methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate

C17H21N3O3S — CID 71707344

IUPACmethyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate
SMILESCCCc1cc(-c2nc(C)c(C(=O)NCCC(=O)OC)s2)ccn1
InChIInChI=1S/C17H21N3O3S/c1-4-5-13-10-12(6-8-18-13)17-20-11(2)15(24-17)16(22)19-9-7-14(21)23-3/h6,8,10H,4-5,7,9H2,1-3H3,(H,19,22)
InChIKeyMZUXPBBRCKOPHO-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.76
Rot. Bonds7

About methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate

methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate (PubChem CID 71707344) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate
PubChem CID71707344
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Namemethyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate
SMILESCCCc1cc(-c2nc(C)c(C(=O)NCCC(=O)OC)s2)ccn1
InChIInChI=1S/C17H21N3O3S/c1-4-5-13-10-12(6-8-18-13)17-20-11(2)15(24-17)16(22)19-9-7-14(21)23-3/h6,8,10H,4-5,7,9H2,1-3H3,(H,19,22)
InChIKeyMZUXPBBRCKOPHO-UHFFFAOYSA-N
XLogP2.76
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate with MolForge

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Related Compounds

4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
CID 53367712
2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 141289102
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
CID 56763271
3-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 82032619
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
2-(3-ethoxyphenyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 143281441
N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46628023
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
2-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 9456699
N-[4-(diethylamino)butyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084315
3-[2-[[[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]-4-pyridinyl]benzoic acid
CID 59219225

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate (CID 71707344) is methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate is CCCc1cc(-c2nc(C)c(C(=O)NCCC(=O)OC)s2)ccn1.
What is the InChIKey of methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate?
The InChIKey is MZUXPBBRCKOPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-5-13-10-12(6-8-18-13)17-20-11(2)15(24-17)16(22)19-9-7-14(21)23-3/h6,8,10H,4-5,7,9H2,1-3H3,(H,19,22).
What are the key properties of methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate?
methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate has a molecular weight of 347.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-methyl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carbonyl]amino]propanoate is sourced from PubChem (CID 71707344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).