N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide

C16H12N4OS — CID 43945670

IUPACN-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide
SMILESC#CCn1/c(=N/C(=O)c2cnccn2)sc2cc(C)ccc21
InChIInChI=1S/C16H12N4OS/c1-3-8-20-13-5-4-11(2)9-14(13)22-16(20)19-15(21)12-10-17-6-7-18-12/h1,4-7,9-10H,8H2,2H3/b19-16-
InChIKeyORRABKHMTVZYTA-MNDPQUGUSA-N
MW308.37 g/mol
LogP2.18
Rot. Bonds2

About N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide

N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide (PubChem CID 43945670) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide
PubChem CID43945670
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC NameN-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide
SMILESC#CCn1/c(=N/C(=O)c2cnccn2)sc2cc(C)ccc21
InChIInChI=1S/C16H12N4OS/c1-3-8-20-13-5-4-11(2)9-14(13)22-16(20)19-15(21)12-10-17-6-7-18-12/h1,4-7,9-10H,8H2,2H3/b19-16-
InChIKeyORRABKHMTVZYTA-MNDPQUGUSA-N
XLogP2.18
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide
CID 43945996
4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide
CID 43945653
3,4,5-trimethoxy-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3561451
ethyl 2-[6-chloro-2-(pyrazine-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 43941170
N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrothiophene-2-carboxamide
CID 4107928
N-(6-propan-2-yl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide
CID 43943544
2-(2,5-dimethylphenyl)-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41342685
3-methyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5079538
N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonylbenzamide
CID 40700113
N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40996450
ethyl 2-[6-nitro-2-(pyrazine-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 43941224
N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethylphenyl)acetamide
CID 41019349

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide?
The IUPAC name of N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide (CID 43945670) is N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide.
What is the SMILES notation for N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide?
The canonical SMILES for N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide is C#CCn1/c(=N/C(=O)c2cnccn2)sc2cc(C)ccc21.
What is the InChIKey of N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide?
The InChIKey is ORRABKHMTVZYTA-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-3-8-20-13-5-4-11(2)9-14(13)22-16(20)19-15(21)12-10-17-6-7-18-12/h1,4-7,9-10H,8H2,2H3/b19-16-.
What are the key properties of N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide?
N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide is sourced from PubChem (CID 43945670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).