2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide

C14H16ClN3OS — CID 167767884

IUPAC2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide
SMILESCc1ncsc1CCCNc1cccc(Cl)c1C(N)=O
InChIInChI=1S/C14H16ClN3OS/c1-9-12(20-8-18-9)6-3-7-17-11-5-2-4-10(15)13(11)14(16)19/h2,4-5,8,17H,3,6-7H2,1H3,(H2,16,19)
InChIKeyYZIZMPMDWLDYSR-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.25
Rot. Bonds6

About 2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide

2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide (PubChem CID 167767884) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide.

Molecular Properties

Compound Name2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide
PubChem CID167767884
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide
SMILESCc1ncsc1CCCNc1cccc(Cl)c1C(N)=O
InChIInChI=1S/C14H16ClN3OS/c1-9-12(20-8-18-9)6-3-7-17-11-5-2-4-10(15)13(11)14(16)19/h2,4-5,8,17H,3,6-7H2,1H3,(H2,16,19)
InChIKeyYZIZMPMDWLDYSR-UHFFFAOYSA-N
XLogP3.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.25
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

3-(2-carbamoyl-3-chloroanilino)propanoic acid
CID 62501578
N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide
CID 50983196
N-(2,3-dichlorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679766
2,4,5-trichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62072016
2-[2-(2-aminophenoxy)ethylamino]-6-chlorobenzamide
CID 62497017
2-chloro-6-(methylamino)benzamide
CID 58906344
2-chloro-6-[3-(diethylamino)propylamino]benzenecarbothioamide
CID 62501763
2-chloro-6-(3-phenylpropylamino)benzenecarbothioamide
CID 62495977
2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide
CID 81089935
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-phenylaniline
CID 62070632
1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718502
2-(5-hydroxypentylamino)-6-methylbenzamide
CID 111770358

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide?
The IUPAC name of 2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide (CID 167767884) is 2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide.
What is the SMILES notation for 2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide?
The canonical SMILES for 2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide is Cc1ncsc1CCCNc1cccc(Cl)c1C(N)=O.
What is the InChIKey of 2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide?
The InChIKey is YZIZMPMDWLDYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-9-12(20-8-18-9)6-3-7-17-11-5-2-4-10(15)13(11)14(16)19/h2,4-5,8,17H,3,6-7H2,1H3,(H2,16,19).
What are the key properties of 2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide?
2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide has a molecular weight of 309.82 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]benzamide is sourced from PubChem (CID 167767884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).