N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

C18H17N3O3S — CID 33040140

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1nc2c(s1)CCC2)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H17N3O3S/c22-15-8-9-16(23)21(15)10-11-4-6-12(7-5-11)17(24)20-18-19-13-2-1-3-14(13)25-18/h4-7H,1-3,8-10H2,(H,19,20,24)
InChIKeyNTSDGRWELDTHOQ-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.53
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 33040140) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
PubChem CID33040140
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1nc2c(s1)CCC2)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H17N3O3S/c22-15-8-9-16(23)21(15)10-11-4-6-12(7-5-11)17(24)20-18-19-13-2-1-3-14(13)25-18/h4-7H,1-3,8-10H2,(H,19,20,24)
InChIKeyNTSDGRWELDTHOQ-UHFFFAOYSA-N
XLogP2.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide;hydrochloride
CID 119300560
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 3595429
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 47047630
4-(acetamidomethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 167896966
4-N-tert-butyl-1-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzene-1,4-dicarboxamide
CID 48850842
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 30376746
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991649
1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 2482039
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 30796774
4-bromo-3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 81308268

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide (CID 33040140) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is O=C(Nc1nc2c(s1)CCC2)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is NTSDGRWELDTHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-15-8-9-16(23)21(15)10-11-4-6-12(7-5-11)17(24)20-18-19-13-2-1-3-14(13)25-18/h4-7H,1-3,8-10H2,(H,19,20,24).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 355.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 33040140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).