N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide

C20H28N6O3S — CID 171680050

IUPACN-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2nc(C(=O)NCCC(N)=O)cs2)n(C)n1
InChIInChI=1S/C20H28N6O3S/c1-12(2)9-13-10-16(25(3)24-13)20(29)26-8-4-5-15(26)19-23-14(11-30-19)18(28)22-7-6-17(21)27/h10-12,15H,4-9H2,1-3H3,(H2,21,27)(H,22,28)/t15-/m1/s1
InChIKeyPFWMCUYYGVOLLA-OAHLLOKOSA-N
MW432.55 g/mol
LogP1.66
Rot. Bonds8

About N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide

N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 171680050) has the molecular formula C20H28N6O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID171680050
Molecular FormulaC20H28N6O3S
Molecular Weight432.55 g/mol
Exact Mass432.19
IUPAC NameN-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2nc(C(=O)NCCC(N)=O)cs2)n(C)n1
InChIInChI=1S/C20H28N6O3S/c1-12(2)9-13-10-16(25(3)24-13)20(29)26-8-4-5-15(26)19-23-14(11-30-19)18(28)22-7-6-17(21)27/h10-12,15H,4-9H2,1-3H3,(H2,21,27)(H,22,28)/t15-/m1/s1
InChIKeyPFWMCUYYGVOLLA-OAHLLOKOSA-N
XLogP1.66
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide (CID 171680050) is N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide is CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2nc(C(=O)NCCC(N)=O)cs2)n(C)n1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is PFWMCUYYGVOLLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N6O3S/c1-12(2)9-13-10-16(25(3)24-13)20(29)26-8-4-5-15(26)19-23-14(11-30-19)18(28)22-7-6-17(21)27/h10-12,15H,4-9H2,1-3H3,(H2,21,27)(H,22,28)/t15-/m1/s1.
What are the key properties of N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide?
N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-[(2R)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171680050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).