(5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

C15H19N5OS — CID 56819111

IUPAC(5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCN(c3nc(C)cs3)CC2)cn1
InChIInChI=1S/C15H19N5OS/c1-11-8-17-13(9-16-11)14(21)19-4-3-5-20(7-6-19)15-18-12(2)10-22-15/h8-10H,3-7H2,1-2H3
InChIKeyUEOCDODYTBPVID-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.90
Rot. Bonds2

About (5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

(5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 56819111) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
PubChem CID56819111
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCN(c3nc(C)cs3)CC2)cn1
InChIInChI=1S/C15H19N5OS/c1-11-8-17-13(9-16-11)14(21)19-4-3-5-20(7-6-19)15-18-12(2)10-22-15/h8-10H,3-7H2,1-2H3
InChIKeyUEOCDODYTBPVID-UHFFFAOYSA-N
XLogP1.90
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (CID 56819111) is (5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is Cc1cnc(C(=O)N2CCCN(c3nc(C)cs3)CC2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is UEOCDODYTBPVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11-8-17-13(9-16-11)14(21)19-4-3-5-20(7-6-19)15-18-12(2)10-22-15/h8-10H,3-7H2,1-2H3.
What are the key properties of (5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
(5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 317.42 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 56819111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).