N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide

C18H18N4OS — CID 43943544

IUPACN-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cnccn2)sc2cc(C(C)C)ccc21
InChIInChI=1S/C18H18N4OS/c1-4-9-22-15-6-5-13(12(2)3)10-16(15)24-18(22)21-17(23)14-11-19-7-8-20-14/h4-8,10-12H,1,9H2,2-3H3/b21-18-
InChIKeyGTKURHZQIOWOHD-UZYVYHOESA-N
MW338.44 g/mol
LogP3.54
Rot. Bonds4

About N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide

N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide (PubChem CID 43943544) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide
PubChem CID43943544
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cnccn2)sc2cc(C(C)C)ccc21
InChIInChI=1S/C18H18N4OS/c1-4-9-22-15-6-5-13(12(2)3)10-16(15)24-18(22)21-17(23)14-11-19-7-8-20-14/h4-8,10-12H,1,9H2,2-3H3/b21-18-
InChIKeyGTKURHZQIOWOHD-UZYVYHOESA-N
XLogP3.54
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 40997296
N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
CID 40508521
2-chloro-4-fluoro-N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43943525
N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide
CID 43945670
4-[bis(prop-2-enyl)sulfamoyl]-N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40997299
4-(benzenesulfonamido)-N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043831
ethyl 2-[6-chloro-2-(pyrazine-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 43941170
4-(benzenesulfonyl)-N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)butanamide
CID 41087169
4-acetyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984224
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,5-dimethylpyrazole-3-carboxamide
CID 16952412
N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
CID 43944910
ethyl 2-[6-nitro-2-(pyrazine-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 43941224

Frequently Asked Questions

What is the IUPAC name of N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide?
The IUPAC name of N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide (CID 43943544) is N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide.
What is the SMILES notation for N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide?
The canonical SMILES for N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide is C=CCn1/c(=N/C(=O)c2cnccn2)sc2cc(C(C)C)ccc21.
What is the InChIKey of N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide?
The InChIKey is GTKURHZQIOWOHD-UZYVYHOESA-N. The full InChI is InChI=1S/C18H18N4OS/c1-4-9-22-15-6-5-13(12(2)3)10-16(15)24-18(22)21-17(23)14-11-19-7-8-20-14/h4-8,10-12H,1,9H2,2-3H3/b21-18-.
What are the key properties of N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide?
N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide is sourced from PubChem (CID 43943544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).