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

C18H18F3N5OS — CID 88996725

IUPAC1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea
SMILESCc1nc(NC(=O)NCCc2cn(CC(F)(F)F)cn2)sc1-c1ccccc1
InChIInChI=1S/C18H18F3N5OS/c1-12-15(13-5-3-2-4-6-13)28-17(24-12)25-16(27)22-8-7-14-9-26(11-23-14)10-18(19,20)21/h2-6,9,11H,7-8,10H2,1H3,(H2,22,24,25,27)
InChIKeyHXAVKXDUMICTHC-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.24
Rot. Bonds6

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

1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea (PubChem CID 88996725) has the molecular formula C18H18F3N5OS and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea
PubChem CID88996725
Molecular FormulaC18H18F3N5OS
Molecular Weight409.44 g/mol
Exact Mass409.12
IUPAC Name1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea
SMILESCc1nc(NC(=O)NCCc2cn(CC(F)(F)F)cn2)sc1-c1ccccc1
InChIInChI=1S/C18H18F3N5OS/c1-12-15(13-5-3-2-4-6-13)28-17(24-12)25-16(27)22-8-7-14-9-26(11-23-14)10-18(19,20)21/h2-6,9,11H,7-8,10H2,1H3,(H2,22,24,25,27)
InChIKeyHXAVKXDUMICTHC-UHFFFAOYSA-N
XLogP4.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-[2-[1-(2-methylpropyl)imidazol-4-yl]ethyl]urea
CID 57466865
1-[5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]-3-[2-(2-ethyltetrazol-5-yl)ethyl]urea
CID 87307398
2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide
CID 42957088
1-[2-(1-ethylimidazol-4-yl)ethyl]-3-(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)urea
CID 25174175
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 39189427
1-[2-(5-ethyl-1,3-oxazol-2-yl)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 11348865
1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide
CID 55993689
1-(4-hydroxybutyl)-3-[4-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]urea
CID 11326568
1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea
CID 87306595
(E)-4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 134348775
4-(methoxymethyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37201205
1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(pyridin-2-ylmethyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea?
The IUPAC name of 1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea (CID 88996725) is 1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea.
What is the SMILES notation for 1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea?
The canonical SMILES for 1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea is Cc1nc(NC(=O)NCCc2cn(CC(F)(F)F)cn2)sc1-c1ccccc1.
What is the InChIKey of 1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea?
The InChIKey is HXAVKXDUMICTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5OS/c1-12-15(13-5-3-2-4-6-13)28-17(24-12)25-16(27)22-8-7-14-9-26(11-23-14)10-18(19,20)21/h2-6,9,11H,7-8,10H2,1H3,(H2,22,24,25,27).
What are the key properties of 1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea?
1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea has a molecular weight of 409.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea is sourced from PubChem (CID 88996725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).