ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate

C9H12N6O2S — CID 80575166

IUPACethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCc2nn[nH]n2)n1
InChIInChI=1S/C9H12N6O2S/c1-2-17-8(16)3-6-5-18-9(11-6)10-4-7-12-14-15-13-7/h5H,2-4H2,1H3,(H,10,11)(H,12,13,14,15)
InChIKeyRIUOTVDSQKRZFG-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.37
Rot. Bonds6

About ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 80575166) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate
PubChem CID80575166
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Nameethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCc2nn[nH]n2)n1
InChIInChI=1S/C9H12N6O2S/c1-2-17-8(16)3-6-5-18-9(11-6)10-4-7-12-14-15-13-7/h5H,2-4H2,1H3,(H,10,11)(H,12,13,14,15)
InChIKeyRIUOTVDSQKRZFG-UHFFFAOYSA-N
XLogP0.37
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
4-ethyl-N-(2H-tetrazol-5-ylmethyl)-1,3-thiazol-2-amine
CID 62962458
ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575988
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80575641
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318
ethyl 2-[2-(3-methylsulfanylpropylamino)-1,3-thiazol-4-yl]acetate
CID 80576085
ethyl 2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]acetate
CID 80576900

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate (CID 80575166) is ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NCc2nn[nH]n2)n1.
What is the InChIKey of ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is RIUOTVDSQKRZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-2-17-8(16)3-6-5-18-9(11-6)10-4-7-12-14-15-13-7/h5H,2-4H2,1H3,(H,10,11)(H,12,13,14,15).
What are the key properties of ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 268.30 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).