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

C16H21FN4OS — CID 51083600

IUPAC1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCC(c2cccc(F)c2)N(C)C)cs1
InChIInChI=1S/C16H21FN4OS/c1-11-20-14(10-23-11)8-18-16(22)19-9-15(21(2)3)12-5-4-6-13(17)7-12/h4-7,10,15H,8-9H2,1-3H3,(H2,18,19,22)
InChIKeyBEMAENPVFYZSNG-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.69
Rot. Bonds6

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

1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 51083600) has the molecular formula C16H21FN4OS and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID51083600
Molecular FormulaC16H21FN4OS
Molecular Weight336.44 g/mol
Exact Mass336.14
IUPAC Name1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCc1nc(CNC(=O)NCC(c2cccc(F)c2)N(C)C)cs1
InChIInChI=1S/C16H21FN4OS/c1-11-20-14(10-23-11)8-18-16(22)19-9-15(21(2)3)12-5-4-6-13(17)7-12/h4-7,10,15H,8-9H2,1-3H3,(H2,18,19,22)
InChIKeyBEMAENPVFYZSNG-UHFFFAOYSA-N
XLogP2.69
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea with MolForge

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Related Compounds

1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51126717
(E)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 43072529
1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 95134341
1-[2-(N-methylanilino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084045
3-(benzylcarbamoylamino)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]propanamide
CID 30526143
3-(benzylcarbamoylamino)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]propanamide
CID 24640092
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide
CID 55699014
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide
CID 32692271
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110906953

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 51083600) is 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is Cc1nc(CNC(=O)NCC(c2cccc(F)c2)N(C)C)cs1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is BEMAENPVFYZSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4OS/c1-11-20-14(10-23-11)8-18-16(22)19-9-15(21(2)3)12-5-4-6-13(17)7-12/h4-7,10,15H,8-9H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 336.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 51083600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).