3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide

C18H13N5OS — CID 34290939

IUPAC3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C18H13N5OS/c19-16-15(20-8-9-21-16)17(24)22-12-5-3-4-11(10-12)18-23-13-6-1-2-7-14(13)25-18/h1-10H,(H2,19,21)(H,22,24)
InChIKeyLCYDYAPAMFUKFX-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.59
Rot. Bonds3

About 3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide

3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 34290939) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide
PubChem CID34290939
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C18H13N5OS/c19-16-15(20-8-9-21-16)17(24)22-12-5-3-4-11(10-12)18-23-13-6-1-2-7-14(13)25-18/h1-10H,(H2,19,21)(H,22,24)
InChIKeyLCYDYAPAMFUKFX-UHFFFAOYSA-N
XLogP3.59
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5067994
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-tert-butylbenzamide
CID 2303166
3-(1,3-benzothiazol-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]pyrazine-2-carboxamide
CID 24676182
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 2290422
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 7096358
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-6-iodobenzamide
CID 70815255
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78837215
1-benzhydryl-3-[3-(1,3-benzothiazol-2-yl)phenyl]urea
CID 121082236
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-cyanothiophene-2-carboxamide
CID 166204370
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 41147462
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 155943148
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9456512

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide (CID 34290939) is 3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1.
What is the InChIKey of 3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is LCYDYAPAMFUKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c19-16-15(20-8-9-21-16)17(24)22-12-5-3-4-11(10-12)18-23-13-6-1-2-7-14(13)25-18/h1-10H,(H2,19,21)(H,22,24).
What are the key properties of 3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide?
3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1,3-benzothiazol-2-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 34290939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).