ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate

C14H18N4O2S — CID 103486583

IUPACethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NCc2ccnc(C)n2)n1
InChIInChI=1S/C14H18N4O2S/c1-3-20-13(19)5-4-12-9-21-14(18-12)16-8-11-6-7-15-10(2)17-11/h6-7,9H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyUUAHKEMNVOJEKH-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.35
Rot. Bonds7

About ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate (PubChem CID 103486583) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate
PubChem CID103486583
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Nameethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(NCc2ccnc(C)n2)n1
InChIInChI=1S/C14H18N4O2S/c1-3-20-13(19)5-4-12-9-21-14(18-12)16-8-11-6-7-15-10(2)17-11/h6-7,9H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyUUAHKEMNVOJEKH-UHFFFAOYSA-N
XLogP2.35
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[2-[(1-methylpyrazol-3-yl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488356
ethyl 3-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485969
ethyl 3-[2-[2-(diethylamino)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103485900
ethyl 3-[2-[(3-chlorophenyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103487308
ethyl 3-[2-[(2-methylcyclopropyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103488583
ethyl 3-[2-(2,2-dicyclopropylethylamino)-1,3-thiazol-4-yl]propanoate
CID 103487938
ethyl 3-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 103488214
ethyl 3-[2-[2-(1-methylpyrazol-3-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 106106701
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947
ethyl 5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526595
ethyl 3-[2-(1-pyridin-4-ylethylamino)-1,3-thiazol-4-yl]propanoate
CID 103486235
ethyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 103486000

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate (CID 103486583) is ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(NCc2ccnc(C)n2)n1.
What is the InChIKey of ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate?
The InChIKey is UUAHKEMNVOJEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-20-13(19)5-4-12-9-21-14(18-12)16-8-11-6-7-15-10(2)17-11/h6-7,9H,3-5,8H2,1-2H3,(H,16,18).
What are the key properties of ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate has a molecular weight of 306.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(2-methylpyrimidin-4-yl)methylamino]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103486583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).