4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide

C20H23N5OS — CID 122570345

IUPAC4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
SMILESCc1ncsc1CCCNC(=O)c1ccc(-c2cncc(N(C)C)n2)cc1
InChIInChI=1S/C20H23N5OS/c1-14-18(27-13-23-14)5-4-10-22-20(26)16-8-6-15(7-9-16)17-11-21-12-19(24-17)25(2)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,26)
InChIKeyRGPVKZRZJXRDLJ-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.34
Rot. Bonds7

About 4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide

4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide (PubChem CID 122570345) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
PubChem CID122570345
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
SMILESCc1ncsc1CCCNC(=O)c1ccc(-c2cncc(N(C)C)n2)cc1
InChIInChI=1S/C20H23N5OS/c1-14-18(27-13-23-14)5-4-10-22-20(26)16-8-6-15(7-9-16)17-11-21-12-19(24-17)25(2)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,26)
InChIKeyRGPVKZRZJXRDLJ-UHFFFAOYSA-N
XLogP3.34
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
CID 122560927
3-(4-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-5-carboxamide
CID 70773903
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718390
4-(5-methylfuran-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 131898687
4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 122570879
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743024
3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide
CID 122566280
N-methyl-4-(6-methylpyridazin-3-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119067344
2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
CID 90650982
3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718386
1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70707512

Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide?
The IUPAC name of 4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide (CID 122570345) is 4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide.
What is the SMILES notation for 4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide?
The canonical SMILES for 4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide is Cc1ncsc1CCCNC(=O)c1ccc(-c2cncc(N(C)C)n2)cc1.
What is the InChIKey of 4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide?
The InChIKey is RGPVKZRZJXRDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-18(27-13-23-14)5-4-10-22-20(26)16-8-6-15(7-9-16)17-11-21-12-19(24-17)25(2)3/h6-9,11-13H,4-5,10H2,1-3H3,(H,22,26).
What are the key properties of 4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide?
4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide has a molecular weight of 381.51 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide is sourced from PubChem (CID 122570345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).