2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide

C19H23N5O3S — CID 118061263

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(C3=CCOCC3)n2)c(N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C19H23N5O3S/c1-19(2)6-7-24(18(19)26)15-13(10-23(3)22-15)20-16(25)14-11-28-17(21-14)12-4-8-27-9-5-12/h4,10-11H,5-9H2,1-3H3,(H,20,25)
InChIKeyZTZWWAKRQCTJHD-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.70
Rot. Bonds4

About 2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide

2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 118061263) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID118061263
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(C3=CCOCC3)n2)c(N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C19H23N5O3S/c1-19(2)6-7-24(18(19)26)15-13(10-23(3)22-15)20-16(25)14-11-28-17(21-14)12-4-8-27-9-5-12/h4,10-11H,5-9H2,1-3H3,(H,20,25)
InChIKeyZTZWWAKRQCTJHD-UHFFFAOYSA-N
XLogP2.70
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 118061263) is 2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2csc(C3=CCOCC3)n2)c(N2CCC(C)(C)C2=O)n1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZTZWWAKRQCTJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-19(2)6-7-24(18(19)26)15-13(10-23(3)22-15)20-16(25)14-11-28-17(21-14)12-4-8-27-9-5-12/h4,10-11H,5-9H2,1-3H3,(H,20,25).
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)-N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118061263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).