(4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

C19H14N4O2S — CID 166220972

IUPAC(4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
SMILESCc1ccncc1COC(=O)c1nccnc1-c1nc2ccccc2s1
InChIInChI=1S/C19H14N4O2S/c1-12-6-7-20-10-13(12)11-25-19(24)17-16(21-8-9-22-17)18-23-14-4-2-3-5-15(14)26-18/h2-10H,11H2,1H3
InChIKeyRKXVCKBYRKDQGT-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.81
Rot. Bonds4

About (4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

(4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate (PubChem CID 166220972) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
PubChem CID166220972
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name(4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
SMILESCc1ccncc1COC(=O)c1nccnc1-c1nc2ccccc2s1
InChIInChI=1S/C19H14N4O2S/c1-12-6-7-20-10-13(12)11-25-19(24)17-16(21-8-9-22-17)18-23-14-4-2-3-5-15(14)26-18/h2-10H,11H2,1H3
InChIKeyRKXVCKBYRKDQGT-UHFFFAOYSA-N
XLogP3.81
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-Benzothiazol-2-ylmethyl pyrazine-2-carboxylate
CID 2364899
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 18202611
(5-Methyl-1,2-oxazol-3-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 24480435
Ethyl 2-phenyl-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate
CID 21794213
2-(2-Benzothiazolyl)-4-(ethoxycarbonyl)pyridine 1-oxide
CID 102581841
[2-(4-Fluoroanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 8003100
1,3-Benzothiazol-2-ylmethyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 8381942
(2-Chloro-6-fluorophenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 17501690
[3-(Trifluoromethyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 18202610
(3-Fluoro-4-methoxyphenyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 18202613
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 24480442
[4-(Trifluoromethyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate
CID 24521652

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate?
The IUPAC name of (4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate (CID 166220972) is (4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate.
What is the SMILES notation for (4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate?
The canonical SMILES for (4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate is Cc1ccncc1COC(=O)c1nccnc1-c1nc2ccccc2s1.
What is the InChIKey of (4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate?
The InChIKey is RKXVCKBYRKDQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c1-12-6-7-20-10-13(12)11-25-19(24)17-16(21-8-9-22-17)18-23-14-4-2-3-5-15(14)26-18/h2-10H,11H2,1H3.
What are the key properties of (4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate?
(4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 166220972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).