N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide

C14H13N5OS — CID 47027909

IUPACN-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNc1nc2ccccc2s1)c1cnccn1
InChIInChI=1S/C14H13N5OS/c20-13(11-9-15-5-6-16-11)17-7-8-18-14-19-10-3-1-2-4-12(10)21-14/h1-6,9H,7-8H2,(H,17,20)(H,18,19)
InChIKeyFWRULHKFCRZCRH-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide (PubChem CID 47027909) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide
PubChem CID47027909
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNc1nc2ccccc2s1)c1cnccn1
InChIInChI=1S/C14H13N5OS/c20-13(11-9-15-5-6-16-11)17-7-8-18-14-19-10-3-1-2-4-12(10)21-14/h1-6,9H,7-8H2,(H,17,20)(H,18,19)
InChIKeyFWRULHKFCRZCRH-UHFFFAOYSA-N
XLogP1.93
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide
CID 30370261
N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide
CID 46426584
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 51089603
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3,3-dimethylbutanamide
CID 47165966
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-(methylamino)acetamide
CID 120703645
N-[2-(naphthalene-2-carbonylamino)ethyl]pyrazine-2-carboxamide
CID 8990855
N'-(1,3-benzothiazol-2-yl)-N-pyridin-2-ylethane-1,2-diamine
CID 37105021
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
4-(1,3-benzothiazol-2-yl)-N-[2-(1,3-benzothiazol-2-ylamino)ethyl]butanamide
CID 55601271
(2S)-N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-ethoxypropanamide
CID 94809192
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(methanesulfonamido)benzamide
CID 37043981

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide (CID 47027909) is N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide is O=C(NCCNc1nc2ccccc2s1)c1cnccn1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide?
The InChIKey is FWRULHKFCRZCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c20-13(11-9-15-5-6-16-11)17-7-8-18-14-19-10-3-1-2-4-12(10)21-14/h1-6,9H,7-8H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide?
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-ylamino)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47027909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).