methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate

C14H19N3O3S — CID 106697270

IUPACmethyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC2CCN(C3CC3)C2)sc1C(C)=O
InChIInChI=1S/C14H19N3O3S/c1-8(18)12-11(13(19)20-2)16-14(21-12)15-9-5-6-17(7-9)10-3-4-10/h9-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyZFHJADUIAJHLTJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.78
Rot. Bonds5

About methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate

methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 106697270) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate
PubChem CID106697270
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Namemethyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC2CCN(C3CC3)C2)sc1C(C)=O
InChIInChI=1S/C14H19N3O3S/c1-8(18)12-11(13(19)20-2)16-14(21-12)15-9-5-6-17(7-9)10-3-4-10/h9-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyZFHJADUIAJHLTJ-UHFFFAOYSA-N
XLogP1.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate (CID 106697270) is methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC2CCN(C3CC3)C2)sc1C(C)=O.
What is the InChIKey of methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is ZFHJADUIAJHLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-8(18)12-11(13(19)20-2)16-14(21-12)15-9-5-6-17(7-9)10-3-4-10/h9-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 309.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106697270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).