1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea

C18H20N4O2S — CID 95786580

IUPAC1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea
SMILESCN(C)[C@@H](CNC(=O)Nc1cc(-c2ccccc2)ns1)c1ccco1
InChIInChI=1S/C18H20N4O2S/c1-22(2)15(16-9-6-10-24-16)12-19-18(23)20-17-11-14(21-25-17)13-7-4-3-5-8-13/h3-11,15H,12H2,1-2H3,(H2,19,20,23)/t15-/m0/s1
InChIKeyDPVUACPFMANBEW-HNNXBMFYSA-N
MW356.45 g/mol
LogP3.83
Rot. Bonds6

About 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea

1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea (PubChem CID 95786580) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea
PubChem CID95786580
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea
SMILESCN(C)[C@@H](CNC(=O)Nc1cc(-c2ccccc2)ns1)c1ccco1
InChIInChI=1S/C18H20N4O2S/c1-22(2)15(16-9-6-10-24-16)12-19-18(23)20-17-11-14(21-25-17)13-7-4-3-5-8-13/h3-11,15H,12H2,1-2H3,(H2,19,20,23)/t15-/m0/s1
InChIKeyDPVUACPFMANBEW-HNNXBMFYSA-N
XLogP3.83
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577768
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-methyl-2-[(3-phenyl-1,2-thiazol-5-yl)carbamoylamino]acetamide
CID 71864926
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea
CID 71865561
1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60543399
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 46528850
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 51162742

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea?
The IUPAC name of 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea (CID 95786580) is 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea.
What is the SMILES notation for 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea?
The canonical SMILES for 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea is CN(C)[C@@H](CNC(=O)Nc1cc(-c2ccccc2)ns1)c1ccco1.
What is the InChIKey of 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea?
The InChIKey is DPVUACPFMANBEW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-22(2)15(16-9-6-10-24-16)12-19-18(23)20-17-11-14(21-25-17)13-7-4-3-5-8-13/h3-11,15H,12H2,1-2H3,(H2,19,20,23)/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea?
1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea has a molecular weight of 356.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea is sourced from PubChem (CID 95786580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).