1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea

C17H19N5O2S — CID 60577768

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESCN(C)C(CNC(=O)Nc1ccc(-c2csnn2)cc1)c1ccco1
InChIInChI=1S/C17H19N5O2S/c1-22(2)15(16-4-3-9-24-16)10-18-17(23)19-13-7-5-12(6-8-13)14-11-25-21-20-14/h3-9,11,15H,10H2,1-2H3,(H2,18,19,23)
InChIKeyBHWDOJGCLYRMHB-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.22
Rot. Bonds6

About 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea (PubChem CID 60577768) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
PubChem CID60577768
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESCN(C)C(CNC(=O)Nc1ccc(-c2csnn2)cc1)c1ccco1
InChIInChI=1S/C17H19N5O2S/c1-22(2)15(16-4-3-9-24-16)10-18-17(23)19-13-7-5-12(6-8-13)14-11-25-21-20-14/h3-9,11,15H,10H2,1-2H3,(H2,18,19,23)
InChIKeyBHWDOJGCLYRMHB-UHFFFAOYSA-N
XLogP3.22
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-fluorophenyl)urea
CID 17494246
1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
1-[4-[benzyl(methyl)amino]phenyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60543399
1-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-phenyl-1,2-thiazol-5-yl)urea
CID 95786580
1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577464
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60583718
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 110892196
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea
CID 71865561

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea (CID 60577768) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea is CN(C)C(CNC(=O)Nc1ccc(-c2csnn2)cc1)c1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
The InChIKey is BHWDOJGCLYRMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-22(2)15(16-4-3-9-24-16)10-18-17(23)19-13-7-5-12(6-8-13)14-11-25-21-20-14/h3-9,11,15H,10H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea has a molecular weight of 357.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea is sourced from PubChem (CID 60577768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).