ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate

C17H25N5O5S — CID 90528996

IUPACethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2CCc3nc(NC(=O)OC)sc3C2)CC1
InChIInChI=1S/C17H25N5O5S/c1-3-27-17(25)22-8-6-21(7-9-22)14(23)11-20-5-4-12-13(10-20)28-15(18-12)19-16(24)26-2/h3-11H2,1-2H3,(H,18,19,24)
InChIKeyJLMFGDYFJTZPQY-UHFFFAOYSA-N
MW411.48 g/mol
LogP0.98
Rot. Bonds4

About ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate (PubChem CID 90528996) has the molecular formula C17H25N5O5S and a molecular weight of 411.48 g/mol. Its IUPAC name is ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate
PubChem CID90528996
Molecular FormulaC17H25N5O5S
Molecular Weight411.48 g/mol
Exact Mass411.16
IUPAC Nameethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2CCc3nc(NC(=O)OC)sc3C2)CC1
InChIInChI=1S/C17H25N5O5S/c1-3-27-17(25)22-8-6-21(7-9-22)14(23)11-20-5-4-12-13(10-20)28-15(18-12)19-16(24)26-2/h3-11H2,1-2H3,(H,18,19,24)
InChIKeyJLMFGDYFJTZPQY-UHFFFAOYSA-N
XLogP0.98
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90529105
methyl N-[5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528995
ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate
CID 90529038
methyl N-[5-[2-(4-acetylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529041
ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528028
ethyl N-[5-[2-(naphthalen-1-ylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528017
ethyl N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528041
ethyl N-[5-[2-(3-chloroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528031
ethyl N-[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528067
ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90530579
2-(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-ethylacetamide
CID 90525295
methyl N-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529033

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate (CID 90528996) is ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN2CCc3nc(NC(=O)OC)sc3C2)CC1.
What is the InChIKey of ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate?
The InChIKey is JLMFGDYFJTZPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O5S/c1-3-27-17(25)22-8-6-21(7-9-22)14(23)11-20-5-4-12-13(10-20)28-15(18-12)19-16(24)26-2/h3-11H2,1-2H3,(H,18,19,24).
What are the key properties of ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate has a molecular weight of 411.48 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 90528996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).