1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one

C17H23N7O2S — CID 75468883

IUPAC1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one
SMILESCc1nc(C2CCCN(C(=O)Cc3csc(N4CCCNC4=O)n3)C2)n[nH]1
InChIInChI=1S/C17H23N7O2S/c1-11-19-15(22-21-11)12-4-2-6-23(9-12)14(25)8-13-10-27-17(20-13)24-7-3-5-18-16(24)26/h10,12H,2-9H2,1H3,(H,18,26)(H,19,21,22)
InChIKeyNHWSQKPNSCSTAD-UHFFFAOYSA-N
MW389.49 g/mol
LogP1.44
Rot. Bonds4

About 1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one

1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one (PubChem CID 75468883) has the molecular formula C17H23N7O2S and a molecular weight of 389.49 g/mol. Its IUPAC name is 1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one
PubChem CID75468883
Molecular FormulaC17H23N7O2S
Molecular Weight389.49 g/mol
Exact Mass389.16
IUPAC Name1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one
SMILESCc1nc(C2CCCN(C(=O)Cc3csc(N4CCCNC4=O)n3)C2)n[nH]1
InChIInChI=1S/C17H23N7O2S/c1-11-19-15(22-21-11)12-4-2-6-23(9-12)14(25)8-13-10-27-17(20-13)24-7-3-5-18-16(24)26/h10,12H,2-9H2,1H3,(H,18,26)(H,19,21,22)
InChIKeyNHWSQKPNSCSTAD-UHFFFAOYSA-N
XLogP1.44
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one
CID 125146659
1-[4-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 94111290
1-[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 56812990
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 131895050
[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 99927369
(5-bromothiophen-3-yl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 127476732
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 99940793
1-[4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 91841866
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide
CID 74236414
1-[4-[2-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 95590157
1-[4-[2-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 94487439
(3R)-3-amino-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 155955430

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one (CID 75468883) is 1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one is Cc1nc(C2CCCN(C(=O)Cc3csc(N4CCCNC4=O)n3)C2)n[nH]1.
What is the InChIKey of 1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one?
The InChIKey is NHWSQKPNSCSTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2S/c1-11-19-15(22-21-11)12-4-2-6-23(9-12)14(25)8-13-10-27-17(20-13)24-7-3-5-18-16(24)26/h10,12H,2-9H2,1H3,(H,18,26)(H,19,21,22).
What are the key properties of 1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one?
1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one has a molecular weight of 389.49 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 75468883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).