1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea

C12H15F2N5OS — CID 95612447

IUPAC1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESC[C@H](NC(=O)NCCc1nccn1C(F)F)c1nccs1
InChIInChI=1S/C12H15F2N5OS/c1-8(10-16-5-7-21-10)18-12(20)17-3-2-9-15-4-6-19(9)11(13)14/h4-8,11H,2-3H2,1H3,(H2,17,18,20)/t8-/m0/s1
InChIKeyNPNUQCKWLLXSOF-QMMMGPOBSA-N
MW315.35 g/mol
LogP2.34
Rot. Bonds6

About 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea

1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 95612447) has the molecular formula C12H15F2N5OS and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID95612447
Molecular FormulaC12H15F2N5OS
Molecular Weight315.35 g/mol
Exact Mass315.10
IUPAC Name1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESC[C@H](NC(=O)NCCc1nccn1C(F)F)c1nccs1
InChIInChI=1S/C12H15F2N5OS/c1-8(10-16-5-7-21-10)18-12(20)17-3-2-9-15-4-6-19(9)11(13)14/h4-8,11H,2-3H2,1H3,(H2,17,18,20)/t8-/m0/s1
InChIKeyNPNUQCKWLLXSOF-QMMMGPOBSA-N
XLogP2.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea with MolForge

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71868809
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 71869888
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71925639
1-(1-Imidazol-1-ylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47253363
3-[Cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylurea
CID 71867896
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 75432137
(2S)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 96112232
(1S)-N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 97879103
2-imidazol-1-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 100056707
2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 164637168
2,2,2-trifluoro-N-(1-imidazo[5,1-b][1,3]thiazol-5-ylethyl)acetamide
CID 22916675
5-(Trifluoro-acetylamino)methylimidazo[5,1-b]thiazole
CID 22916686

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea (CID 95612447) is 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea is C[C@H](NC(=O)NCCc1nccn1C(F)F)c1nccs1.
What is the InChIKey of 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is NPNUQCKWLLXSOF-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15F2N5OS/c1-8(10-16-5-7-21-10)18-12(20)17-3-2-9-15-4-6-19(9)11(13)14/h4-8,11H,2-3H2,1H3,(H2,17,18,20)/t8-/m0/s1.
What are the key properties of 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea?
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 315.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 95612447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).