2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole

C14H18N4S — CID 77091401

IUPAC2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCCc1nccc(CN2CCCC2c2nccs2)n1
InChIInChI=1S/C14H18N4S/c1-2-13-15-6-5-11(17-13)10-18-8-3-4-12(18)14-16-7-9-19-14/h5-7,9,12H,2-4,8,10H2,1H3
InChIKeyWXGQBVYNMCKCKO-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.83
Rot. Bonds4

About 2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole

2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 77091401) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
PubChem CID77091401
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
SMILESCCc1nccc(CN2CCCC2c2nccs2)n1
InChIInChI=1S/C14H18N4S/c1-2-13-15-6-5-11(17-13)10-18-8-3-4-12(18)14-16-7-9-19-14/h5-7,9,12H,2-4,8,10H2,1H3
InChIKeyWXGQBVYNMCKCKO-UHFFFAOYSA-N
XLogP2.83
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 99844268
(2R)-1-[(2-ethylpyrimidin-4-yl)methyl]-2-(3-fluorophenyl)azepane
CID 99930686
N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine
CID 126463349
2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]acetonitrile
CID 130666209
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 77087825
2-[1-[[1-(1-methylpiperidin-4-yl)triazol-4-yl]methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 45209217
6,7-dimethoxy-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine
CID 126467486
2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136328
2-methylsulfanyl-7-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 124850079
2-methylsulfanyl-7-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 124850078
5-methyl-2-(5-methylfuran-2-yl)-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45222645
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 42465919

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole (CID 77091401) is 2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole is CCc1nccc(CN2CCCC2c2nccs2)n1.
What is the InChIKey of 2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is WXGQBVYNMCKCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-2-13-15-6-5-11(17-13)10-18-8-3-4-12(18)14-16-7-9-19-14/h5-7,9,12H,2-4,8,10H2,1H3.
What are the key properties of 2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole?
2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 274.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 77091401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).