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

C17H20N2OS — CID 3595429

IUPAC4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1
InChIInChI=1S/C17H20N2OS/c1-17(2,3)12-9-7-11(8-10-12)15(20)19-16-18-13-5-4-6-14(13)21-16/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyYVBHNZRERTXVKX-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.18
Rot. Bonds2

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

4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide (PubChem CID 3595429) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
PubChem CID3595429
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1
InChIInChI=1S/C17H20N2OS/c1-17(2,3)12-9-7-11(8-10-12)15(20)19-16-18-13-5-4-6-14(13)21-16/h7-10H,4-6H2,1-3H3,(H,18,19,20)
InChIKeyYVBHNZRERTXVKX-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-tert-butyl-1-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzene-1,4-dicarboxamide
CID 48850842
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134
4-tert-butyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 739433
4-(aminomethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide;hydrochloride
CID 119300560
4-(acetamidomethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 167896966
2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide
CID 80555214
2-(4-tert-butylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17011876
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 33040140
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998755
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 62178983
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 30796774

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide (CID 3595429) is 4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1.
What is the InChIKey of 4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide?
The InChIKey is YVBHNZRERTXVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-17(2,3)12-9-7-11(8-10-12)15(20)19-16-18-13-5-4-6-14(13)21-16/h7-10H,4-6H2,1-3H3,(H,18,19,20).
What are the key properties of 4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide?
4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide has a molecular weight of 300.43 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 3595429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).