N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide

C22H23N5O2S — CID 53336004

IUPACN-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
SMILESCc1cccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)c1C
InChIInChI=1S/C22H23N5O2S/c1-15-4-3-5-19(16(15)2)26-9-11-27(12-10-26)22(29)20-17(6-13-30-20)25-21(28)18-14-23-7-8-24-18/h3-8,13-14H,9-12H2,1-2H3,(H,25,28)
InChIKeyHQYSJHRVMJWBTR-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.37
Rot. Bonds4

About N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide

N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide (PubChem CID 53336004) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
PubChem CID53336004
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC NameN-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
SMILESCc1cccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)c1C
InChIInChI=1S/C22H23N5O2S/c1-15-4-3-5-19(16(15)2)26-9-11-27(12-10-26)22(29)20-17(6-13-30-20)25-21(28)18-14-23-7-8-24-18/h3-8,13-14H,9-12H2,1-2H3,(H,25,28)
InChIKeyHQYSJHRVMJWBTR-UHFFFAOYSA-N
XLogP3.37
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335996
N-[2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336010
N-[2-[4-(4-methylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336035
N-[2-(pyrrolidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335980
N-[2-[4-(4-acetylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336017
N-[2-(4-carbamoylpiperidine-1-carbonyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335990
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide
CID 53336001
N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 694797
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 110388329
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 120639509

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide (CID 53336004) is N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide is Cc1cccc(N2CCN(C(=O)c3sccc3NC(=O)c3cnccn3)CC2)c1C.
What is the InChIKey of N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide?
The InChIKey is HQYSJHRVMJWBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-15-4-3-5-19(16(15)2)26-9-11-27(12-10-26)22(29)20-17(6-13-30-20)25-21(28)18-14-23-7-8-24-18/h3-8,13-14H,9-12H2,1-2H3,(H,25,28).
What are the key properties of N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide?
N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]thiophen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53336004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).