N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide

C13H13ClFN3OS — CID 91777823

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide
SMILESNc1nc(CCCNC(=O)c2cc(Cl)ccc2F)cs1
InChIInChI=1S/C13H13ClFN3OS/c14-8-3-4-11(15)10(6-8)12(19)17-5-1-2-9-7-20-13(16)18-9/h3-4,6-7H,1-2,5H2,(H2,16,18)(H,17,19)
InChIKeyXEHKXBWDWUOTDN-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.88
Rot. Bonds5

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide (PubChem CID 91777823) has the molecular formula C13H13ClFN3OS and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide
PubChem CID91777823
Molecular FormulaC13H13ClFN3OS
Molecular Weight313.79 g/mol
Exact Mass313.05
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide
SMILESNc1nc(CCCNC(=O)c2cc(Cl)ccc2F)cs1
InChIInChI=1S/C13H13ClFN3OS/c14-8-3-4-11(15)10(6-8)12(19)17-5-1-2-9-7-20-13(16)18-9/h3-4,6-7H,1-2,5H2,(H2,16,18)(H,17,19)
InChIKeyXEHKXBWDWUOTDN-UHFFFAOYSA-N
XLogP2.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 70776210
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-chloro-1-methylpyrazole-3-carboxamide
CID 131889869
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 131927854
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 131918647
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4-hydroxyphenyl)benzamide
CID 119071037
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126260
2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518421
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 70751468
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 110718049

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide (CID 91777823) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide is Nc1nc(CCCNC(=O)c2cc(Cl)ccc2F)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide?
The InChIKey is XEHKXBWDWUOTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3OS/c14-8-3-4-11(15)10(6-8)12(19)17-5-1-2-9-7-20-13(16)18-9/h3-4,6-7H,1-2,5H2,(H2,16,18)(H,17,19).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide has a molecular weight of 313.79 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 91777823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).