1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

C12H15F2N5OS — CID 56826162

IUPAC1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CNC(=O)NCCc1nccn1C(F)F
InChIInChI=1S/C12H15F2N5OS/c1-8-9(21-7-18-8)6-17-12(20)16-3-2-10-15-4-5-19(10)11(13)14/h4-5,7,11H,2-3,6H2,1H3,(H2,16,17,20)
InChIKeyJJDUJSYRYXQLRO-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.09
Rot. Bonds6

About 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 56826162) 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-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID56826162
Molecular FormulaC12H15F2N5OS
Molecular Weight315.35 g/mol
Exact Mass315.10
IUPAC Name1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CNC(=O)NCCc1nccn1C(F)F
InChIInChI=1S/C12H15F2N5OS/c1-8-9(21-7-18-8)6-17-12(20)16-3-2-10-15-4-5-19(10)11(13)14/h4-5,7,11H,2-3,6H2,1H3,(H2,16,17,20)
InChIKeyJJDUJSYRYXQLRO-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea with MolForge

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Related Compounds

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
2-chloro-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-fluoroacetamide
CID 166428060
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 56826814
(2S)-2-hydroxy-4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 107839922
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826154
1-(3-ethyl-2-hydroxypentyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111115235
2-[4-[2-[1-(difluoromethyl)imidazol-2-yl]ethylcarbamoylamino]pyrazol-1-yl]-N,N-dimethylacetamide
CID 146127427
1-(2-hydroxy-3-methylpentyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111338458
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
(2S)-3-hydroxy-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 63283721

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (CID 56826162) is 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncsc1CNC(=O)NCCc1nccn1C(F)F.
What is the InChIKey of 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is JJDUJSYRYXQLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5OS/c1-8-9(21-7-18-8)6-17-12(20)16-3-2-10-15-4-5-19(10)11(13)14/h4-5,7,11H,2-3,6H2,1H3,(H2,16,17,20).
What are the key properties of 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 315.35 g/mol, XLogP of 2.09, 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-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 56826162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).