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

C12H12ClN3OS — CID 112575884

IUPAC3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2nccs2)c1Cl
InChIInChI=1S/C12H12ClN3OS/c13-11-8(2-1-3-9(11)14)12(17)16-5-4-10-15-6-7-18-10/h1-3,6-7H,4-5,14H2,(H,16,17)
InChIKeyPRHJRTAVNNPJSM-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.35
Rot. Bonds4

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

3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 112575884) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID112575884
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2nccs2)c1Cl
InChIInChI=1S/C12H12ClN3OS/c13-11-8(2-1-3-9(11)14)12(17)16-5-4-10-15-6-7-18-10/h1-3,6-7H,4-5,14H2,(H,16,17)
InChIKeyPRHJRTAVNNPJSM-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

2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 55175798
2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238947
3-amino-2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106032973
2-benzoyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49411610
3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106391680
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82546791
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide
CID 71704096
3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115930156
4-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62186873
4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81226552

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 112575884) is 3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is Nc1cccc(C(=O)NCCc2nccs2)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is PRHJRTAVNNPJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c13-11-8(2-1-3-9(11)14)12(17)16-5-4-10-15-6-7-18-10/h1-3,6-7H,4-5,14H2,(H,16,17).
What are the key properties of 3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
3-amino-2-chloro-N-[2-(1,3-thiazol-2-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 3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 112575884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).