N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide

C19H25N5O3S — CID 118061161

IUPACN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(C3CCOCC3)n2)c(N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C19H25N5O3S/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/h10-12H,4-9H2,1-3H3,(H,20,25)
InChIKeyQGZFQAINPAFZAC-UHFFFAOYSA-N
MW403.51 g/mol
LogP2.79
Rot. Bonds4

About N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide

N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 118061161) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID118061161
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(C3CCOCC3)n2)c(N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C19H25N5O3S/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/h10-12H,4-9H2,1-3H3,(H,20,25)
InChIKeyQGZFQAINPAFZAC-UHFFFAOYSA-N
XLogP2.79
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide (CID 118061161) is N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2csc(C3CCOCC3)n2)c(N2CCC(C)(C)C2=O)n1.
What is the InChIKey of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is QGZFQAINPAFZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/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/h10-12H,4-9H2,1-3H3,(H,20,25).
What are the key properties of N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide?
N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-1-methylpyrazol-4-yl]-2-(oxan-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118061161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).