5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine

C11H10N2OS — CID 45077219

IUPAC5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine
SMILESC#CCNc1nc2cc(OC)ccc2s1
InChIInChI=1S/C11H10N2OS/c1-3-6-12-11-13-9-7-8(14-2)4-5-10(9)15-11/h1,4-5,7H,6H2,2H3,(H,12,13)
InChIKeyQPGOKVQDWKVTAJ-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.35
Rot. Bonds3

About 5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine

5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine (PubChem CID 45077219) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine
PubChem CID45077219
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine
SMILESC#CCNc1nc2cc(OC)ccc2s1
InChIInChI=1S/C11H10N2OS/c1-3-6-12-11-13-9-7-8(14-2)4-5-10(9)15-11/h1,4-5,7H,6H2,2H3,(H,12,13)
InChIKeyQPGOKVQDWKVTAJ-UHFFFAOYSA-N
XLogP2.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281697
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
CID 7513168
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 84628462
5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513043
4-amino-N-(5-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 121004629
5-methoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 43968995
6-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-benzothiazol-2-amine
CID 114117297
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine
CID 7513120
methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
CID 79518052

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine (CID 45077219) is 5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine is C#CCNc1nc2cc(OC)ccc2s1.
What is the InChIKey of 5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine?
The InChIKey is QPGOKVQDWKVTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-3-6-12-11-13-9-7-8(14-2)4-5-10(9)15-11/h1,4-5,7H,6H2,2H3,(H,12,13).
What are the key properties of 5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine?
5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine has a molecular weight of 218.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 45077219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).