N-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide

C17H18N2O2S — CID 87514299

IUPACN-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide
SMILESO=C(NO)c1ccc(C2(c3nc4c(s3)CCCC4)CC2)cc1
InChIInChI=1S/C17H18N2O2S/c20-15(19-21)11-5-7-12(8-6-11)17(9-10-17)16-18-13-3-1-2-4-14(13)22-16/h5-8,21H,1-4,9-10H2,(H,19,20)
InChIKeyWAJUBZXIFVEQKL-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.22
Rot. Bonds3

About N-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide

N-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide (PubChem CID 87514299) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide
PubChem CID87514299
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide
SMILESO=C(NO)c1ccc(C2(c3nc4c(s3)CCCC4)CC2)cc1
InChIInChI=1S/C17H18N2O2S/c20-15(19-21)11-5-7-12(8-6-11)17(9-10-17)16-18-13-3-1-2-4-14(13)22-16/h5-8,21H,1-4,9-10H2,(H,19,20)
InChIKeyWAJUBZXIFVEQKL-UHFFFAOYSA-N
XLogP3.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134
1-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclopropane-1-carboxamide
CID 115913571
4-(aminomethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide;hydrochloride
CID 119300560
4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 3595429
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
4-bromo-3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 81308268
N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide
CID 143935338
4-N-tert-butyl-1-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzene-1,4-dicarboxamide
CID 48850842
4-fluoro-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide
CID 110441669
4-(acetamidomethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 167896966
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)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 33040772

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide?
The IUPAC name of N-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide (CID 87514299) is N-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide?
The canonical SMILES for N-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide is O=C(NO)c1ccc(C2(c3nc4c(s3)CCCC4)CC2)cc1.
What is the InChIKey of N-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide?
The InChIKey is WAJUBZXIFVEQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-15(19-21)11-5-7-12(8-6-11)17(9-10-17)16-18-13-3-1-2-4-14(13)22-16/h5-8,21H,1-4,9-10H2,(H,19,20).
What are the key properties of N-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide?
N-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide has a molecular weight of 314.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropyl]benzamide is sourced from PubChem (CID 87514299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).