N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide

C17H15F2N5OS — CID 175650947

IUPACN-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCN(c2nc3c(F)cc(F)cc3s2)C1)c1cnccn1
InChIInChI=1S/C17H15F2N5OS/c18-10-6-12(19)15-14(7-10)26-17(23-15)24-5-1-2-11(9-24)22-16(25)13-8-20-3-4-21-13/h3-4,6-8,11H,1-2,5,9H2,(H,22,25)
InChIKeyIOWXITHKIDXZGP-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.76
Rot. Bonds3

About N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide

N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 175650947) has the molecular formula C17H15F2N5OS and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide
PubChem CID175650947
Molecular FormulaC17H15F2N5OS
Molecular Weight375.40 g/mol
Exact Mass375.10
IUPAC NameN-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCN(c2nc3c(F)cc(F)cc3s2)C1)c1cnccn1
InChIInChI=1S/C17H15F2N5OS/c18-10-6-12(19)15-14(7-10)26-17(23-15)24-5-1-2-11(9-24)22-16(25)13-8-20-3-4-21-13/h3-4,6-8,11H,1-2,5,9H2,(H,22,25)
InChIKeyIOWXITHKIDXZGP-UHFFFAOYSA-N
XLogP2.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 175650547
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrazine-2-carboxamide
CID 175649491
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172903854
N-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 175650654
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 91904766
2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 99930841
N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171328526
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
CID 172892664
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45168499
N-[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171997949
[1-(4,6-difluoro-1,3-benzothiazol-2-yl)azetidin-3-yl] quinoxaline-2-carboxylate
CID 71800400

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide (CID 175650947) is N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide is O=C(NC1CCCN(c2nc3c(F)cc(F)cc3s2)C1)c1cnccn1.
What is the InChIKey of N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is IOWXITHKIDXZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5OS/c18-10-6-12(19)15-14(7-10)26-17(23-15)24-5-1-2-11(9-24)22-16(25)13-8-20-3-4-21-13/h3-4,6-8,11H,1-2,5,9H2,(H,22,25).
What are the key properties of N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide?
N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 175650947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).