1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea

C17H21FN4OS — CID 71981655

IUPAC1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea
SMILESCN(C)c1nc(CNC(=O)NCC2(c3ccccc3F)CC2)cs1
InChIInChI=1S/C17H21FN4OS/c1-22(2)16-21-12(10-24-16)9-19-15(23)20-11-17(7-8-17)13-5-3-4-6-14(13)18/h3-6,10H,7-9,11H2,1-2H3,(H2,19,20,23)
InChIKeyBFGLTKRNQPTNAT-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.88
Rot. Bonds6

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

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea (PubChem CID 71981655) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea
PubChem CID71981655
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea
SMILESCN(C)c1nc(CNC(=O)NCC2(c3ccccc3F)CC2)cs1
InChIInChI=1S/C17H21FN4OS/c1-22(2)16-21-12(10-24-16)9-19-15(23)20-11-17(7-8-17)13-5-3-4-6-14(13)18/h3-6,10H,7-9,11H2,1-2H3,(H2,19,20,23)
InChIKeyBFGLTKRNQPTNAT-UHFFFAOYSA-N
XLogP2.88
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea (CID 71981655) is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea is CN(C)c1nc(CNC(=O)NCC2(c3ccccc3F)CC2)cs1.
What is the InChIKey of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea?
The InChIKey is BFGLTKRNQPTNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-22(2)16-21-12(10-24-16)9-19-15(23)20-11-17(7-8-17)13-5-3-4-6-14(13)18/h3-6,10H,7-9,11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea?
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea has a molecular weight of 348.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 71981655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).