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

C18H23N3O2S — CID 94181824

IUPAC1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cs1
InChIInChI=1S/C18H23N3O2S/c1-11-7-16(11)17-6-5-15(23-17)9-21(14-3-4-14)18(22)19-8-13-10-24-12(2)20-13/h5-6,10-11,14,16H,3-4,7-9H2,1-2H3,(H,19,22)/t11-,16-/m1/s1
InChIKeyXXGPYCIOZDISEH-BDJLRTHQSA-N
MW345.47 g/mol
LogP4.04
Rot. Bonds6

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

1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 94181824) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID94181824
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cs1
InChIInChI=1S/C18H23N3O2S/c1-11-7-16(11)17-6-5-15(23-17)9-21(14-3-4-14)18(22)19-8-13-10-24-12(2)20-13/h5-6,10-11,14,16H,3-4,7-9H2,1-2H3,(H,19,22)/t11-,16-/m1/s1
InChIKeyXXGPYCIOZDISEH-BDJLRTHQSA-N
XLogP4.04
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 94181824) is 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CNC(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cs1.
What is the InChIKey of 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is XXGPYCIOZDISEH-BDJLRTHQSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11-7-16(11)17-6-5-15(23-17)9-21(14-3-4-14)18(22)19-8-13-10-24-12(2)20-13/h5-6,10-11,14,16H,3-4,7-9H2,1-2H3,(H,19,22)/t11-,16-/m1/s1.
What are the key properties of 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 345.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 94181824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).