N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C18H18N4OS — CID 47777690

IUPACN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCn1nc2c(c1NC(=O)Cc1csc(-c3ccccc3)n1)CCC2
InChIInChI=1S/C18H18N4OS/c1-22-17(14-8-5-9-15(14)21-22)20-16(23)10-13-11-24-18(19-13)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,20,23)
InChIKeyWBFXACDFGJNYDG-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.21
Rot. Bonds4

About N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 47777690) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID47777690
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCn1nc2c(c1NC(=O)Cc1csc(-c3ccccc3)n1)CCC2
InChIInChI=1S/C18H18N4OS/c1-22-17(14-8-5-9-15(14)21-22)20-16(23)10-13-11-24-18(19-13)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,20,23)
InChIKeyWBFXACDFGJNYDG-UHFFFAOYSA-N
XLogP3.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 71702166
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 136565681
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18189834
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716
N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 9164577
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
2-(2-phenyl-1,3-thiazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 23610169
N-(5-methyl-1,2,4-thiadiazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155917637
N-(2,3-dichlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2100218
N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 4800325

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 47777690) is N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is Cn1nc2c(c1NC(=O)Cc1csc(-c3ccccc3)n1)CCC2.
What is the InChIKey of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is WBFXACDFGJNYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-22-17(14-8-5-9-15(14)21-22)20-16(23)10-13-11-24-18(19-13)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,20,23).
What are the key properties of N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 338.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 47777690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).