ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate

C17H18N4O2S — CID 67890766

IUPACethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CCNc2ncnc3ccccc23)nc1C
InChIInChI=1S/C17H18N4O2S/c1-3-23-17(22)15-11(2)21-14(24-15)8-9-18-16-12-6-4-5-7-13(12)19-10-20-16/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyDPEFTARHYHIKDQ-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.23
Rot. Bonds6

About ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate (PubChem CID 67890766) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate
PubChem CID67890766
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Nameethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CCNc2ncnc3ccccc23)nc1C
InChIInChI=1S/C17H18N4O2S/c1-3-23-17(22)15-11(2)21-14(24-15)8-9-18-16-12-6-4-5-7-13(12)19-10-20-16/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyDPEFTARHYHIKDQ-UHFFFAOYSA-N
XLogP3.23
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide
CID 110436119
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
ethyl 4-[2-(4-ethoxyphenyl)ethylamino]quinazoline-2-carboxylate
CID 46349616
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110446261
ethyl 5-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 69377373
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 71827680
ethyl 3-amino-4-(butylamino)thieno[3,2-c]quinoline-2-carboxylate
CID 11163711

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate (CID 67890766) is ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(CCNc2ncnc3ccccc23)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate?
The InChIKey is DPEFTARHYHIKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-23-17(22)15-11(2)21-14(24-15)8-9-18-16-12-6-4-5-7-13(12)19-10-20-16/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[2-(quinazolin-4-ylamino)ethyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 67890766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).