(1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

C15H19N5O4S — CID 18275889

IUPAC(1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESCCCn1nnnc1COC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C15H19N5O4S/c1-2-8-19-14(16-17-18-19)11-24-15(21)12-4-6-13(7-5-12)20-9-3-10-25(20,22)23/h4-7H,2-3,8-11H2,1H3
InChIKeyVDYMFRYVVMYTKE-UHFFFAOYSA-N
MW365.42 g/mol
LogP0.98
Rot. Bonds6

About (1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

(1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (PubChem CID 18275889) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
PubChem CID18275889
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name(1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESCCCn1nnnc1COC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C15H19N5O4S/c1-2-8-19-14(16-17-18-19)11-24-15(21)12-4-6-13(7-5-12)20-9-3-10-25(20,22)23/h4-7H,2-3,8-11H2,1H3
InChIKeyVDYMFRYVVMYTKE-UHFFFAOYSA-N
XLogP0.98
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1-propyltetrazol-5-yl)methyl 4-(dimethylamino)benzoate
CID 55397270
(1-propyltetrazol-5-yl)methyl furan-3-carboxylate
CID 55463280
[(E)-pent-2-enyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 60554605
[2-(butan-2-ylamino)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099184
(1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate
CID 55397232
(1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate
CID 55402390
(1-propyltetrazol-5-yl)methyl 4-butoxy-3-methoxybenzoate
CID 55398660
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099198
(1-propyltetrazol-5-yl)methyl 3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 35306474
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55473427
(4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 134030266
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
CID 18169101

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (CID 18275889) is (1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is CCCn1nnnc1COC(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The InChIKey is VDYMFRYVVMYTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-2-8-19-14(16-17-18-19)11-24-15(21)12-4-6-13(7-5-12)20-9-3-10-25(20,22)23/h4-7H,2-3,8-11H2,1H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
(1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate has a molecular weight of 365.42 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is sourced from PubChem (CID 18275889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).