N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide

C19H18N4OS — CID 110667176

IUPACN-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cc2nc3c(s2)CCCC3)cc1)c1cnccn1
InChIInChI=1S/C19H18N4OS/c24-19(16-12-20-9-10-21-16)22-14-7-5-13(6-8-14)11-18-23-15-3-1-2-4-17(15)25-18/h5-10,12H,1-4,11H2,(H,22,24)
InChIKeyZHOQPAOUMQBUHV-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.65
Rot. Bonds4

About N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide

N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 110667176) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide
PubChem CID110667176
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cc2nc3c(s2)CCCC3)cc1)c1cnccn1
InChIInChI=1S/C19H18N4OS/c24-19(16-12-20-9-10-21-16)22-14-7-5-13(6-8-14)11-18-23-15-3-1-2-4-17(15)25-18/h5-10,12H,1-4,11H2,(H,22,24)
InChIKeyZHOQPAOUMQBUHV-UHFFFAOYSA-N
XLogP3.65
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
CID 860501
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazine-2-carboxamide
CID 110792487
1-[4-(pyridin-4-ylmethyl)phenyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 166183768
N-[4-(sulfamoylmethyl)phenyl]pyrazine-2-carboxamide
CID 60715551
N-(4-sulfanylphenyl)pyrazine-2-carboxamide
CID 137223268
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104640589
N-[5-[2-(4-butylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527563
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388631
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
5-(ethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104640590

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide (CID 110667176) is N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(Cc2nc3c(s2)CCCC3)cc1)c1cnccn1.
What is the InChIKey of N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is ZHOQPAOUMQBUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c24-19(16-12-20-9-10-21-16)22-14-7-5-13(6-8-14)11-18-23-15-3-1-2-4-17(15)25-18/h5-10,12H,1-4,11H2,(H,22,24).
What are the key properties of N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide?
N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110667176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).