ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate

C18H18N6O2S — CID 90390921

IUPACethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate
SMILESCCOC(=O)CCCc1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
InChIInChI=1S/C18H18N6O2S/c1-2-26-15(25)5-3-4-14-23-16-17(19-10-20-18(16)27-14)22-12-6-7-13-11(8-12)9-21-24-13/h6-10H,2-5H2,1H3,(H,21,24)(H,19,20,22)
InChIKeyTXRBHNGTRDTVRL-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.59
Rot. Bonds7

About ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate

ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate (PubChem CID 90390921) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate
PubChem CID90390921
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Nameethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate
SMILESCCOC(=O)CCCc1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
InChIInChI=1S/C18H18N6O2S/c1-2-26-15(25)5-3-4-14-23-16-17(19-10-20-18(16)27-14)22-12-6-7-13-11(8-12)9-21-24-13/h6-10H,2-5H2,1H3,(H,21,24)(H,19,20,22)
InChIKeyTXRBHNGTRDTVRL-UHFFFAOYSA-N
XLogP3.59
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate 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 4-[7-(1H-isoindol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate;4-[7-(1H-isoindol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoic acid
CID 158521338
ethyl 3-[7-(4-amino-3-methanimidoylanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]propanoate
CID 144695783
N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 78324014
ethyl 4-[(7S)-4-(1H-indazol-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carbonyl]piperazine-1-carboxylate
CID 118096054
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1H-indazol-5-amine
CID 133416322
2-(2-phenylethyl)-N-(1H-pyrazolo[3,4-c]pyridin-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 87057342
ethyl 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)benzoate
CID 875354
2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 123757583
ethyl (E)-3-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]prop-2-enoate
CID 162738751
(6S)-N-ethyl-4-(1H-indazol-5-ylamino)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole-6-carboxamide
CID 118061896
(7R)-4-(1H-indazol-5-ylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid
CID 118096029
ethyl 1-(1H-indazol-5-ylamino)cyclobutane-1-carboxylate
CID 67336209

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate?
The IUPAC name of ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate (CID 90390921) is ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate.
What is the SMILES notation for ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate?
The canonical SMILES for ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate is CCOC(=O)CCCc1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1.
What is the InChIKey of ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate?
The InChIKey is TXRBHNGTRDTVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-2-26-15(25)5-3-4-14-23-16-17(19-10-20-18(16)27-14)22-12-6-7-13-11(8-12)9-21-24-13/h6-10H,2-5H2,1H3,(H,21,24)(H,19,20,22).
What are the key properties of ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate?
ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate has a molecular weight of 382.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate is sourced from PubChem (CID 90390921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).