5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline

C13H15ClN2S2 — CID 43250856

IUPAC5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
SMILESCCCc1nc(CSc2ccc(Cl)cc2N)cs1
InChIInChI=1S/C13H15ClN2S2/c1-2-3-13-16-10(8-18-13)7-17-12-5-4-9(14)6-11(12)15/h4-6,8H,2-3,7,15H2,1H3
InChIKeyUEYSNSPOAVHALL-UHFFFAOYSA-N
MW298.86 g/mol
LogP4.62
Rot. Bonds5

About 5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline

5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline (PubChem CID 43250856) has the molecular formula C13H15ClN2S2 and a molecular weight of 298.86 g/mol. Its IUPAC name is 5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
PubChem CID43250856
Molecular FormulaC13H15ClN2S2
Molecular Weight298.86 g/mol
Exact Mass298.04
IUPAC Name5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
SMILESCCCc1nc(CSc2ccc(Cl)cc2N)cs1
InChIInChI=1S/C13H15ClN2S2/c1-2-3-13-16-10(8-18-13)7-17-12-5-4-9(14)6-11(12)15/h4-6,8H,2-3,7,15H2,1H3
InChIKeyUEYSNSPOAVHALL-UHFFFAOYSA-N
XLogP4.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-ethylsulfanylaniline;hydrochloride
CID 17381710
5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43249989
5-chloro-2-[(1-propylimidazol-4-yl)methylsulfanyl]aniline
CID 67972244
(1R)-1-[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63366752
3-bromo-4-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 82840747
5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
CID 115332020
5-chloro-2-nonylsulfanylaniline
CID 43129563
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
7-[(2-amino-4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 43251011
5-chloro-2-[(4-chloro-6-methylpyrimidin-2-yl)methylsulfanyl]aniline
CID 80664869
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300079
2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 39538100

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The IUPAC name of 5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline (CID 43250856) is 5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline.
What is the SMILES notation for 5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The canonical SMILES for 5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline is CCCc1nc(CSc2ccc(Cl)cc2N)cs1.
What is the InChIKey of 5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
The InChIKey is UEYSNSPOAVHALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S2/c1-2-3-13-16-10(8-18-13)7-17-12-5-4-9(14)6-11(12)15/h4-6,8H,2-3,7,15H2,1H3.
What are the key properties of 5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline?
5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline has a molecular weight of 298.86 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]aniline is sourced from PubChem (CID 43250856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).