2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one

C12H22N6OS — CID 10357350

IUPAC2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCNC(CC(C)C)C(=O)N1CCSC1c1nn[nH]n1
InChIInChI=1S/C12H22N6OS/c1-4-13-9(7-8(2)3)11(19)18-5-6-20-12(18)10-14-16-17-15-10/h8-9,12-13H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyZKDHIHNEYCRGLH-UHFFFAOYSA-N
MW298.42 g/mol
LogP0.80
Rot. Bonds6

About 2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one

2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one (PubChem CID 10357350) has the molecular formula C12H22N6OS and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one
PubChem CID10357350
Molecular FormulaC12H22N6OS
Molecular Weight298.42 g/mol
Exact Mass298.16
IUPAC Name2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one
SMILESCCNC(CC(C)C)C(=O)N1CCSC1c1nn[nH]n1
InChIInChI=1S/C12H22N6OS/c1-4-13-9(7-8(2)3)11(19)18-5-6-20-12(18)10-14-16-17-15-10/h8-9,12-13H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyZKDHIHNEYCRGLH-UHFFFAOYSA-N
XLogP0.80
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one?
The IUPAC name of 2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one (CID 10357350) is 2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one.
What is the SMILES notation for 2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one?
The canonical SMILES for 2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one is CCNC(CC(C)C)C(=O)N1CCSC1c1nn[nH]n1.
What is the InChIKey of 2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one?
The InChIKey is ZKDHIHNEYCRGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6OS/c1-4-13-9(7-8(2)3)11(19)18-5-6-20-12(18)10-14-16-17-15-10/h8-9,12-13H,4-7H2,1-3H3,(H,14,15,16,17).
What are the key properties of 2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one?
2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one has a molecular weight of 298.42 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-1-[2-(2H-tetrazol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one is sourced from PubChem (CID 10357350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).