1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea

C15H17F2N3OS — CID 97224466

IUPAC1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCCC[C@H](NC(=O)NCc1cscn1)c1ccc(F)cc1F
InChIInChI=1S/C15H17F2N3OS/c1-2-3-14(12-5-4-10(16)6-13(12)17)20-15(21)18-7-11-8-22-9-19-11/h4-6,8-9,14H,2-3,7H2,1H3,(H2,18,20,21)/t14-/m0/s1
InChIKeyKOFIKBDQZTYOHL-AWEZNQCLSA-N
MW325.38 g/mol
LogP3.76
Rot. Bonds6

About 1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea

1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 97224466) has the molecular formula C15H17F2N3OS and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea
PubChem CID97224466
Molecular FormulaC15H17F2N3OS
Molecular Weight325.38 g/mol
Exact Mass325.11
IUPAC Name1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea
SMILESCCC[C@H](NC(=O)NCc1cscn1)c1ccc(F)cc1F
InChIInChI=1S/C15H17F2N3OS/c1-2-3-14(12-5-4-10(16)6-13(12)17)20-15(21)18-7-11-8-22-9-19-11/h4-6,8-9,14H,2-3,7H2,1H3,(H2,18,20,21)/t14-/m0/s1
InChIKeyKOFIKBDQZTYOHL-AWEZNQCLSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea with MolForge

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Related Compounds

(2S)-2-[[(1S)-1-(2,4-difluorophenyl)butyl]carbamoylamino]-N,N-dimethylpropanamide
CID 99818408
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238
3-phenyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 63825576
2-[1-(2,4-difluorophenyl)butylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977047
1-[1-(2,4-difluorophenyl)butylcarbamoyl]piperidine-4-carboxylic acid
CID 122006451
(3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide
CID 97098048
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 75191814
1-[(4-chloro-2-ethoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 75431621
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 46388558
1-(4-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 62049333
2-[1-(1,3-thiazol-4-ylmethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375119
1-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(1,3-thiazol-4-ylmethyl)urea
CID 75383116

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea (CID 97224466) is 1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea is CCC[C@H](NC(=O)NCc1cscn1)c1ccc(F)cc1F.
What is the InChIKey of 1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is KOFIKBDQZTYOHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17F2N3OS/c1-2-3-14(12-5-4-10(16)6-13(12)17)20-15(21)18-7-11-8-22-9-19-11/h4-6,8-9,14H,2-3,7H2,1H3,(H2,18,20,21)/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea?
1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea has a molecular weight of 325.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,4-difluorophenyl)butyl]-3-(1,3-thiazol-4-ylmethyl)urea is sourced from PubChem (CID 97224466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).