N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide

C15H18N4O3S2 — CID 2812629

IUPACN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(CN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C15H18N4O3S2/c1-11-14(23-18-17-11)15(20)16-13-4-2-12(3-5-13)10-19-6-8-24(21,22)9-7-19/h2-5H,6-10H2,1H3,(H,16,20)
InChIKeyFRURMLXNHKOPMP-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.33
Rot. Bonds4

About N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide

N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 2812629) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID2812629
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(CN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C15H18N4O3S2/c1-11-14(23-18-17-11)15(20)16-13-4-2-12(3-5-13)10-19-6-8-24(21,22)9-7-19/h2-5H,6-10H2,1H3,(H,16,20)
InChIKeyFRURMLXNHKOPMP-UHFFFAOYSA-N
XLogP1.33
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide (CID 2812629) is N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(CN2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is FRURMLXNHKOPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-11-14(23-18-17-11)15(20)16-13-4-2-12(3-5-13)10-19-6-8-24(21,22)9-7-19/h2-5H,6-10H2,1H3,(H,16,20).
What are the key properties of N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide?
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 2812629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).