ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate

C18H17N5O3S — CID 71704945

IUPACethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(Nc3ncccn3)cc2)n1
InChIInChI=1S/C18H17N5O3S/c1-2-26-15(24)10-14-11-27-18(22-14)23-16(25)12-4-6-13(7-5-12)21-17-19-8-3-9-20-17/h3-9,11H,2,10H2,1H3,(H,19,20,21)(H,22,23,25)
InChIKeyQAYQWYYQKMWGLA-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.03
Rot. Bonds7

About ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 71704945) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID71704945
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Nameethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(Nc3ncccn3)cc2)n1
InChIInChI=1S/C18H17N5O3S/c1-2-26-15(24)10-14-11-27-18(22-14)23-16(25)12-4-6-13(7-5-12)21-17-19-8-3-9-20-17/h3-9,11H,2,10H2,1H3,(H,19,20,21)(H,22,23,25)
InChIKeyQAYQWYYQKMWGLA-UHFFFAOYSA-N
XLogP3.03
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

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ethyl 2-[2-(furo[3,2-b]pyridine-2-carbonylamino)-1,3-thiazol-4-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate (CID 71704945) is ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(Nc3ncccn3)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is QAYQWYYQKMWGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-2-26-15(24)10-14-11-27-18(22-14)23-16(25)12-4-6-13(7-5-12)21-17-19-8-3-9-20-17/h3-9,11H,2,10H2,1H3,(H,19,20,21)(H,22,23,25).
What are the key properties of ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 383.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 71704945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).