5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide

C15H17N5O3S — CID 110269713

IUPAC5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(CC2COCCN(C(=O)c3cscn3)C2)cn1
InChIInChI=1S/C15H17N5O3S/c16-14(21)12-5-17-11(4-18-12)3-10-6-20(1-2-23-7-10)15(22)13-8-24-9-19-13/h4-5,8-10H,1-3,6-7H2,(H2,16,21)
InChIKeyOZZZGWXDCLDMJC-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.36
Rot. Bonds4

About 5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide

5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide (PubChem CID 110269713) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
PubChem CID110269713
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(CC2COCCN(C(=O)c3cscn3)C2)cn1
InChIInChI=1S/C15H17N5O3S/c16-14(21)12-5-17-11(4-18-12)3-10-6-20(1-2-23-7-10)15(22)13-8-24-9-19-13/h4-5,8-10H,1-3,6-7H2,(H2,16,21)
InChIKeyOZZZGWXDCLDMJC-UHFFFAOYSA-N
XLogP0.36
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[(6S)-4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 95842641
[6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 110272129
[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95848122
[(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 124999156
[(6S)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 125018974
4-(1,3-thiazole-4-carbonyl)morpholine-2-carbothioamide
CID 79674305
[(6S)-6-[[5-(methylamino)pyrazin-2-yl]methyl]-1,4-oxazepan-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 95848046
5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
CID 95842649
pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 102604258
[(6S)-6-[(5-methyl-2-pyridinyl)methyl]-1,4-oxazepan-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124979488
pyridin-2-yl-[(6S)-6-(pyrimidin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124961736
6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 110269710

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide (CID 110269713) is 5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide is NC(=O)c1cnc(CC2COCCN(C(=O)c3cscn3)C2)cn1.
What is the InChIKey of 5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is OZZZGWXDCLDMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c16-14(21)12-5-17-11(4-18-12)3-10-6-20(1-2-23-7-10)15(22)13-8-24-9-19-13/h4-5,8-10H,1-3,6-7H2,(H2,16,21).
What are the key properties of 5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide?
5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110269713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).