1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

C15H22N4O2S — CID 71895138

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NCC(c2ccco2)N(C)C)cs1
InChIInChI=1S/C15H22N4O2S/c1-11-18-12(10-22-11)6-7-16-15(20)17-9-13(19(2)3)14-5-4-8-21-14/h4-5,8,10,13H,6-7,9H2,1-3H3,(H2,16,17,20)
InChIKeyPLKUJUJRACFBNH-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.19
Rot. Bonds7

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

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 71895138) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID71895138
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCc1nc(CCNC(=O)NCC(c2ccco2)N(C)C)cs1
InChIInChI=1S/C15H22N4O2S/c1-11-18-12(10-22-11)6-7-16-15(20)17-9-13(19(2)3)14-5-4-8-21-14/h4-5,8,10,13H,6-7,9H2,1-3H3,(H2,16,17,20)
InChIKeyPLKUJUJRACFBNH-UHFFFAOYSA-N
XLogP2.19
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 71895138) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is Cc1nc(CCNC(=O)NCC(c2ccco2)N(C)C)cs1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is PLKUJUJRACFBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11-18-12(10-22-11)6-7-16-15(20)17-9-13(19(2)3)14-5-4-8-21-14/h4-5,8,10,13H,6-7,9H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 322.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 71895138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).