N-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine

C15H23N5O2S2 — CID 72867767

IUPACN-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCCn1nc(-c2csc(C)n2)nc1CCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H23N5O2S2/c1-4-20-14(17-15(18-20)13-9-23-11(2)16-13)5-7-19(3)12-6-8-24(21,22)10-12/h9,12H,4-8,10H2,1-3H3
InChIKeyIOFZSOBNWSXWAS-UHFFFAOYSA-N
MW369.52 g/mol
LogP1.39
Rot. Bonds6

About N-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 72867767) has the molecular formula C15H23N5O2S2 and a molecular weight of 369.52 g/mol. Its IUPAC name is N-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID72867767
Molecular FormulaC15H23N5O2S2
Molecular Weight369.52 g/mol
Exact Mass369.13
IUPAC NameN-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCCn1nc(-c2csc(C)n2)nc1CCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H23N5O2S2/c1-4-20-14(17-15(18-20)13-9-23-11(2)16-13)5-7-19(3)12-6-8-24(21,22)10-12/h9,12H,4-8,10H2,1-3H3
InChIKeyIOFZSOBNWSXWAS-UHFFFAOYSA-N
XLogP1.39
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 72867767) is N-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine is CCn1nc(-c2csc(C)n2)nc1CCN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is IOFZSOBNWSXWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S2/c1-4-20-14(17-15(18-20)13-9-23-11(2)16-13)5-7-19(3)12-6-8-24(21,22)10-12/h9,12H,4-8,10H2,1-3H3.
What are the key properties of N-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 369.52 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 72867767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).