4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide

C13H14ClN3OS — CID 115741114

IUPAC4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(N)cc2Cl)s1
InChIInChI=1S/C13H14ClN3OS/c1-7-6-16-13(19-7)8(2)17-12(18)10-4-3-9(15)5-11(10)14/h3-6,8H,15H2,1-2H3,(H,17,18)
InChIKeyDHLCMEFKYGYOIB-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.18
Rot. Bonds3

About 4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide

4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 115741114) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID115741114
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(N)cc2Cl)s1
InChIInChI=1S/C13H14ClN3OS/c1-7-6-16-13(19-7)8(2)17-12(18)10-4-3-9(15)5-11(10)14/h3-6,8H,15H2,1-2H3,(H,17,18)
InChIKeyDHLCMEFKYGYOIB-UHFFFAOYSA-N
XLogP3.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.18
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-2,3-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 107185774
4-amino-5-chloro-2-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 119898137
5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 102705874
2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
CID 136512927
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112704951
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
4-amino-2-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840251
2-bromo-3-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 113387325
2-hydroxy-4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115681589
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 43535392
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 115741114) is 4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1cnc(C(C)NC(=O)c2ccc(N)cc2Cl)s1.
What is the InChIKey of 4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is DHLCMEFKYGYOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-7-6-16-13(19-7)8(2)17-12(18)10-4-3-9(15)5-11(10)14/h3-6,8H,15H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 295.80 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 115741114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).