(1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C15H15N5O3S — CID 27751738

IUPAC(1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCc1nnnn1-c1ccccc1
InChIInChI=1S/C15H15N5O3S/c1-11-10-24-15(22)19(11)8-7-14(21)23-9-13-16-17-18-20(13)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKeyVUTRUGWPMXTNJW-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.33
Rot. Bonds6

About (1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

(1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 27751738) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is (1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name(1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID27751738
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name(1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCc1nnnn1-c1ccccc1
InChIInChI=1S/C15H15N5O3S/c1-11-10-24-15(22)19(11)8-7-14(21)23-9-13-16-17-18-20(13)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3
InChIKeyVUTRUGWPMXTNJW-UHFFFAOYSA-N
XLogP1.33
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(4-aminoquinazolin-2-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27923645
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 9440946
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27547861
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 46606374
(1-phenyltetrazol-5-yl)methyl 3-(4-fluorophenyl)butanoate
CID 60541543
[(2R)-1-amino-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 40704753
(1-phenyltetrazol-5-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 9264581
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 55386363
(1-phenyltetrazol-5-yl)methyl 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 18145271
(3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of (1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of (1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 27751738) is (1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for (1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for (1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)OCc1nnnn1-c1ccccc1.
What is the InChIKey of (1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is VUTRUGWPMXTNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-11-10-24-15(22)19(11)8-7-14(21)23-9-13-16-17-18-20(13)12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3.
What are the key properties of (1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
(1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 345.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 27751738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).