5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide

C16H19N3OS — CID 120619567

IUPAC5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C16H19N3OS/c1-10-7-8-11(17)9-12(10)15(20)19-16-18-13-5-3-2-4-6-14(13)21-16/h7-9H,2-6,17H2,1H3,(H,18,19,20)
InChIKeyRDEZKSCLGNMDHX-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.55
Rot. Bonds2

About 5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide

5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide (PubChem CID 120619567) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
PubChem CID120619567
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C16H19N3OS/c1-10-7-8-11(17)9-12(10)15(20)19-16-18-13-5-3-2-4-6-14(13)21-16/h7-9H,2-6,17H2,1H3,(H,18,19,20)
InChIKeyRDEZKSCLGNMDHX-UHFFFAOYSA-N
XLogP3.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.55
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-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride
CID 120624908
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
2-bromo-5-methoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 25466331
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
4-bromo-2-hydroxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 63526621
5-fluoro-2-hydroxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 79883380

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide (CID 120619567) is 5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide is Cc1ccc(N)cc1C(=O)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
The InChIKey is RDEZKSCLGNMDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10-7-8-11(17)9-12(10)15(20)19-16-18-13-5-3-2-4-6-14(13)21-16/h7-9H,2-6,17H2,1H3,(H,18,19,20).
What are the key properties of 5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide has a molecular weight of 301.42 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 120619567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).