ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate

C19H19N5O3S2 — CID 42903094

IUPACethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(SC(C)C(=O)Nc2nc(-c3ccccc3)cs2)nc1N
InChIInChI=1S/C19H19N5O3S2/c1-3-27-17(26)13-9-21-18(23-15(13)20)29-11(2)16(25)24-19-22-14(10-28-19)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H2,20,21,23)(H,22,24,25)
InChIKeyPAOTYRHABGHUNA-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.48
Rot. Bonds7

About ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate

ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate (PubChem CID 42903094) has the molecular formula C19H19N5O3S2 and a molecular weight of 429.53 g/mol. Its IUPAC name is ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate
PubChem CID42903094
Molecular FormulaC19H19N5O3S2
Molecular Weight429.53 g/mol
Exact Mass429.09
IUPAC Nameethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(SC(C)C(=O)Nc2nc(-c3ccccc3)cs2)nc1N
InChIInChI=1S/C19H19N5O3S2/c1-3-27-17(26)13-9-21-18(23-15(13)20)29-11(2)16(25)24-19-22-14(10-28-19)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H2,20,21,23)(H,22,24,25)
InChIKeyPAOTYRHABGHUNA-UHFFFAOYSA-N
XLogP3.48
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate with MolForge

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Related Compounds

4-Amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester
CID 1628636
Ethyl 4-methyl-2-([4-[(4-sulfamoylbenzyl)amino]pyrimidin-2-yl]amino)-1,3-thiazole-5-carboxylate
CID 44572237
Ethyl 2-chloro-4-(3-fluoro-4-(thiazol-4-yl)phenylamino)pyrimidine-5-carboxylate
CID 57471881
5-Thiazolecarboxylic acid, 2-((((1,1-dimethylethyl)amino)((2-methyl-4-quinolinyl)amino)methylene)amino)-, ethyl ester
CID 3054336
Methyl 2-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 49786426
Methyl 2-[[4-(1-amino-2-phenylethyl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 49789149
N-(3-methoxypropyl)-2-(2-phenylpyrimidin-5-yl)thiazole-4-carboxamide
CID 59252401
Tert-butyl 2-(2-phenylpyrimidin-5-yl)thiazole-4-carboxylate
CID 59252449
US9868729, Example 183
CID 58014748
US9579320, Example 584
CID 59199595
Ethyl 4-[4-(benzylamino)-1-piperidyl]-2-(4-pyridyl)thiazole-5-carboxylate
CID 76309921
Ethyl 4-[4-(benzylamino)-1-piperidyl]-2-(2-pyridyl)thiazole-5-carboxylate
CID 76335341

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate (CID 42903094) is ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(SC(C)C(=O)Nc2nc(-c3ccccc3)cs2)nc1N.
What is the InChIKey of ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate?
The InChIKey is PAOTYRHABGHUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S2/c1-3-27-17(26)13-9-21-18(23-15(13)20)29-11(2)16(25)24-19-22-14(10-28-19)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H2,20,21,23)(H,22,24,25).
What are the key properties of ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate?
ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate has a molecular weight of 429.53 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylpyrimidine-5-carboxylate is sourced from PubChem (CID 42903094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).