5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride

C17H22ClN3OS — CID 120624908

IUPAC5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1nc2c(s1)CCCCCC2.Cl
InChIInChI=1S/C17H21N3OS.ClH/c1-11-8-9-12(18)10-13(11)16(21)20-17-19-14-6-4-2-3-5-7-15(14)22-17;/h8-10H,2-7,18H2,1H3,(H,19,20,21);1H
InChIKeyAIUPKXRHJXSHNS-UHFFFAOYSA-N
MW351.90 g/mol
LogP4.37
Rot. Bonds2

About 5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride

5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride (PubChem CID 120624908) has the molecular formula C17H22ClN3OS and a molecular weight of 351.90 g/mol. Its IUPAC name is 5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride
PubChem CID120624908
Molecular FormulaC17H22ClN3OS
Molecular Weight351.90 g/mol
Exact Mass351.12
IUPAC Name5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1nc2c(s1)CCCCCC2.Cl
InChIInChI=1S/C17H21N3OS.ClH/c1-11-8-9-12(18)10-13(11)16(21)20-17-19-14-6-4-2-3-5-7-15(14)22-17;/h8-10H,2-7,18H2,1H3,(H,19,20,21);1H
InChIKeyAIUPKXRHJXSHNS-UHFFFAOYSA-N
XLogP4.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 120619567
5-(diethylsulfamoyl)-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 46560722
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
4-amino-5-chloro-2-methoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 119700477
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
5-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1H-indole-2-carboxamide
CID 62057299
3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 115930466
5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 17191257
4-(aminomethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide;hydrochloride
CID 119300560
2-bromo-5-methoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 25466331
4-bromo-2-hydroxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 63526621
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride (CID 120624908) is 5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)Nc1nc2c(s1)CCCCCC2.Cl.
What is the InChIKey of 5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride?
The InChIKey is AIUPKXRHJXSHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.ClH/c1-11-8-9-12(18)10-13(11)16(21)20-17-19-14-6-4-2-3-5-7-15(14)22-17;/h8-10H,2-7,18H2,1H3,(H,19,20,21);1H.
What are the key properties of 5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride?
5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride has a molecular weight of 351.90 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120624908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).