N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide

C15H20N4O3S2 — CID 118552811

IUPACN-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCC2CCS(=O)(=O)C2)Cc2cncs2)n[nH]1
InChIInChI=1S/C15H20N4O3S2/c1-11-6-14(18-17-11)15(20)19(8-13-7-16-10-23-13)4-2-12-3-5-24(21,22)9-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyPIGMGUVONUKQOQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide

N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 118552811) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID118552811
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC NameN-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCC2CCS(=O)(=O)C2)Cc2cncs2)n[nH]1
InChIInChI=1S/C15H20N4O3S2/c1-11-6-14(18-17-11)15(20)19(8-13-7-16-10-23-13)4-2-12-3-5-24(21,22)9-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyPIGMGUVONUKQOQ-UHFFFAOYSA-N
XLogP1.64
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 155456493
N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 118552874
5-methyl-N-(piperidin-3-ylmethyl)-N-propyl-1H-pyrazole-3-carboxamide
CID 106628456
N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 146124038
1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642454
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 94006757
1-(1,1-dioxothiolan-3-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642657
N-[(5-amino-2-chlorophenyl)methyl]-5-methyl-N-[2-(1-methylidene-1-oxothian-4-yl)ethyl]-1H-pyrazole-3-carboxamide;N-[(2-chloro-3-methylphenyl)methyl]-N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-chlorophenyl)methyl]-5-methyl-N-[2-[4-(methylamino)cyclohexyl]ethyl]-1H-pyrazole-3-carboxamide;N-(2-cyclohexylethyl)-N-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[2-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]ethyl]-1H-pyrazole-3-carboxamide;N-[(2-fluorophenyl)methyl]-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 157440923
5-[(1,1-dioxothian-3-yl)methyl]-1H-pyrazole-3-carboxylic acid
CID 115092859
ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
CID 62615904
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 111596679
N-[(1,1-dioxothiolan-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 54914774

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide (CID 118552811) is N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N(CCC2CCS(=O)(=O)C2)Cc2cncs2)n[nH]1.
What is the InChIKey of N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is PIGMGUVONUKQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-11-6-14(18-17-11)15(20)19(8-13-7-16-10-23-13)4-2-12-3-5-24(21,22)9-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide?
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiolan-3-yl)ethyl]-5-methyl-N-(1,3-thiazol-5-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118552811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).