methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate

C16H15N3O3S — CID 75430006

IUPACmethyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(NC(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C16H15N3O3S/c1-22-14(20)7-6-11-9-23-16(17-11)19-15(21)13-8-10-4-2-3-5-12(10)18-13/h2-5,8-9,18H,6-7H2,1H3,(H,17,19,21)
InChIKeyZMMXVBFKHPGERN-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.98
Rot. Bonds5

About methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate

methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate (PubChem CID 75430006) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate
PubChem CID75430006
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Namemethyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(NC(=O)c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C16H15N3O3S/c1-22-14(20)7-6-11-9-23-16(17-11)19-15(21)13-8-10-4-2-3-5-12(10)18-13/h2-5,8-9,18H,6-7H2,1H3,(H,17,19,21)
InChIKeyZMMXVBFKHPGERN-UHFFFAOYSA-N
XLogP2.98
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60717086
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
methyl 3-[2-(benzylamino)-1,3-thiazol-4-yl]propanoate
CID 107039874
methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate
CID 107039676
methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
CID 107039853
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208483
methyl 3-(1H-indole-2-carbonylamino)pentanoate
CID 112533189
methyl 3-[5-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]propanoate
CID 86617829
methyl 3-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107039879
N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
CID 43397690
methyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039928
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate (CID 75430006) is methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(NC(=O)c2cc3ccccc3[nH]2)n1.
What is the InChIKey of methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate?
The InChIKey is ZMMXVBFKHPGERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-22-14(20)7-6-11-9-23-16(17-11)19-15(21)13-8-10-4-2-3-5-12(10)18-13/h2-5,8-9,18H,6-7H2,1H3,(H,17,19,21).
What are the key properties of methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate has a molecular weight of 329.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 75430006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).