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

C12H12ClN3OS — CID 63831646

IUPAC4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2cscn2)c(Cl)c1
InChIInChI=1S/C12H12ClN3OS/c13-11-5-8(14)1-2-10(11)12(17)15-4-3-9-6-18-7-16-9/h1-2,5-7H,3-4,14H2,(H,15,17)
InChIKeyYTOLYVXTGVBYBD-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.35
Rot. Bonds4

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

4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 63831646) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID63831646
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2cscn2)c(Cl)c1
InChIInChI=1S/C12H12ClN3OS/c13-11-5-8(14)1-2-10(11)12(17)15-4-3-9-6-18-7-16-9/h1-2,5-7H,3-4,14H2,(H,15,17)
InChIKeyYTOLYVXTGVBYBD-UHFFFAOYSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.35
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-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63832003
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
4-amino-2-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61237813
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893
4-amino-2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80681439
1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide
CID 106771922
5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 71974317
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 79773105
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 55261418
2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103854300
4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831827

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 63831646) is 4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is Nc1ccc(C(=O)NCCc2cscn2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is YTOLYVXTGVBYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c13-11-5-8(14)1-2-10(11)12(17)15-4-3-9-6-18-7-16-9/h1-2,5-7H,3-4,14H2,(H,15,17).
What are the key properties of 4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 281.77 g/mol, XLogP of 2.35, 4 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-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 63831646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).