1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea

C14H19N3O3S — CID 97067035

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
SMILESCOC[C@@H](NC(=O)NCc1sc(C)nc1C)c1ccco1
InChIInChI=1S/C14H19N3O3S/c1-9-13(21-10(2)16-9)7-15-14(18)17-11(8-19-3)12-5-4-6-20-12/h4-6,11H,7-8H2,1-3H3,(H2,15,17,18)/t11-/m1/s1
InChIKeyHNEBPGVSXCWECS-LLVKDONJSA-N
MW309.39 g/mol
LogP2.54
Rot. Bonds6

About 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea (PubChem CID 97067035) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
PubChem CID97067035
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
SMILESCOC[C@@H](NC(=O)NCc1sc(C)nc1C)c1ccco1
InChIInChI=1S/C14H19N3O3S/c1-9-13(21-10(2)16-9)7-15-14(18)17-11(8-19-3)12-5-4-6-20-12/h4-6,11H,7-8H2,1-3H3,(H2,15,17,18)/t11-/m1/s1
InChIKeyHNEBPGVSXCWECS-LLVKDONJSA-N
XLogP2.54
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 71865664
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 71982872
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111566530
1-[1-(furan-2-yl)-2-methoxyethyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 146127243
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122003736
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 96518518
1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 71865843
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4-hydroxycyclohexyl)urea
CID 111566418
1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 75508670
1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 97009408
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 136529148
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121122901

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea (CID 97067035) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea is COC[C@@H](NC(=O)NCc1sc(C)nc1C)c1ccco1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea?
The InChIKey is HNEBPGVSXCWECS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-13(21-10(2)16-9)7-15-14(18)17-11(8-19-3)12-5-4-6-20-12/h4-6,11H,7-8H2,1-3H3,(H2,15,17,18)/t11-/m1/s1.
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea has a molecular weight of 309.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea is sourced from PubChem (CID 97067035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).