1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

C15H16N4OS — CID 94172136

IUPAC1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)n1
InChIInChI=1S/C15H16N4OS/c1-10-9-21-14(18-10)8-17-15(20)19-11(2)13-5-3-12(7-16)4-6-13/h3-6,9,11H,8H2,1-2H3,(H2,17,19,20)/t11-/m1/s1
InChIKeyAYAJDUVOLPPPNZ-LLVKDONJSA-N
MW300.39 g/mol
LogP2.88
Rot. Bonds4

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

1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 94172136) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID94172136
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)n1
InChIInChI=1S/C15H16N4OS/c1-10-9-21-14(18-10)8-17-15(20)19-11(2)13-5-3-12(7-16)4-6-13/h3-6,9,11H,8H2,1-2H3,(H2,17,19,20)/t11-/m1/s1
InChIKeyAYAJDUVOLPPPNZ-LLVKDONJSA-N
XLogP2.88
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94048141
3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid
CID 54962722
2-[(1-phenylethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379173
1-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 95192938
1-[1-(4-cyanophenyl)ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 86994750
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea
CID 38288341
3-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]benzonitrile
CID 54913077
2-bromo-N-[1-(4-cyanophenyl)ethyl]acetamide
CID 63680255
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-hexylurea
CID 38290514

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (CID 94172136) is 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1csc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)n1.
What is the InChIKey of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is AYAJDUVOLPPPNZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-9-21-14(18-10)8-17-15(20)19-11(2)13-5-3-12(7-16)4-6-13/h3-6,9,11H,8H2,1-2H3,(H2,17,19,20)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 300.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 94172136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).