2-propylsulfanyl-1,3-benzothiazol-5-amine

C10H12N2S2 — CID 130664278

IUPAC2-propylsulfanyl-1,3-benzothiazol-5-amine
SMILESCCCSc1nc2cc(N)ccc2s1
InChIInChI=1S/C10H12N2S2/c1-2-5-13-10-12-8-6-7(11)3-4-9(8)14-10/h3-4,6H,2,5,11H2,1H3
InChIKeyCJZAQKFCDNUORU-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.38
Rot. Bonds3

About 2-propylsulfanyl-1,3-benzothiazol-5-amine

2-propylsulfanyl-1,3-benzothiazol-5-amine (PubChem CID 130664278) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-propylsulfanyl-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name2-propylsulfanyl-1,3-benzothiazol-5-amine
PubChem CID130664278
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name2-propylsulfanyl-1,3-benzothiazol-5-amine
SMILESCCCSc1nc2cc(N)ccc2s1
InChIInChI=1S/C10H12N2S2/c1-2-5-13-10-12-8-6-7(11)3-4-9(8)14-10/h3-4,6H,2,5,11H2,1H3
InChIKeyCJZAQKFCDNUORU-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.38
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

2-butylsulfanyl-1,3-benzothiazol-6-amine
CID 3101507
3-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid
CID 57063491
2-(2-pyrazol-1-ylethylsulfanyl)-1,3-benzothiazol-6-amine
CID 54960974
2-(2-ethylhexylsulfanyl)-1,3-benzothiazol-6-amine
CID 63464270
5-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]pentanamide
CID 114281764
2-[(5-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 141483854
2-propan-2-yl-1,3-benzothiazol-5-amine
CID 69263682
3-amino-N-(2-propylsulfanyl-1,3-benzothiazol-6-yl)propanamide
CID 165354359
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-butylacetamide
CID 5204003
methyl 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetate
CID 760825
2-[2-(oxolan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-amine
CID 65166408
2-(4-methylphenyl)-1,3-benzothiazol-5-amine
CID 67331050

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-1,3-benzothiazol-5-amine?
The IUPAC name of 2-propylsulfanyl-1,3-benzothiazol-5-amine (CID 130664278) is 2-propylsulfanyl-1,3-benzothiazol-5-amine.
What is the SMILES notation for 2-propylsulfanyl-1,3-benzothiazol-5-amine?
The canonical SMILES for 2-propylsulfanyl-1,3-benzothiazol-5-amine is CCCSc1nc2cc(N)ccc2s1.
What is the InChIKey of 2-propylsulfanyl-1,3-benzothiazol-5-amine?
The InChIKey is CJZAQKFCDNUORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-2-5-13-10-12-8-6-7(11)3-4-9(8)14-10/h3-4,6H,2,5,11H2,1H3.
What are the key properties of 2-propylsulfanyl-1,3-benzothiazol-5-amine?
2-propylsulfanyl-1,3-benzothiazol-5-amine has a molecular weight of 224.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-1,3-benzothiazol-5-amine is sourced from PubChem (CID 130664278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).