3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C15H21N3O2S — CID 86856534

IUPAC3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1cc(C(C)NC(=O)N(C)Cc2csc(C)n2)c(C)o1
InChIInChI=1S/C15H21N3O2S/c1-9-6-14(11(3)20-9)10(2)16-15(19)18(5)7-13-8-21-12(4)17-13/h6,8,10H,7H2,1-5H3,(H,16,19)
InChIKeyGGBWCENEHFLWKG-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.56
Rot. Bonds4

About 3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 86856534) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID86856534
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1cc(C(C)NC(=O)N(C)Cc2csc(C)n2)c(C)o1
InChIInChI=1S/C15H21N3O2S/c1-9-6-14(11(3)20-9)10(2)16-15(19)18(5)7-13-8-21-12(4)17-13/h6,8,10H,7H2,1-5H3,(H,16,19)
InChIKeyGGBWCENEHFLWKG-UHFFFAOYSA-N
XLogP3.56
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea with MolForge

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61282442
2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide
CID 47455504
1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 56820991
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 94214954
(2R)-4-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 107827210
(2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107830779
1-methyl-3-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94991877
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
CID 120502763
1-methyl-3-[[4-(2-methylpropoxy)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86855141
3-cyclooctyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47455518
3-(2,5-dimethoxyphenyl)-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86856033

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 86856534) is 3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1cc(C(C)NC(=O)N(C)Cc2csc(C)n2)c(C)o1.
What is the InChIKey of 3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is GGBWCENEHFLWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-9-6-14(11(3)20-9)10(2)16-15(19)18(5)7-13-8-21-12(4)17-13/h6,8,10H,7H2,1-5H3,(H,16,19).
What are the key properties of 3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 307.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 86856534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).