3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea

C18H25N3OS — CID 162652066

IUPAC3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)NCCc1csc(-c2ccccc2)n1)C(C)C
InChIInChI=1S/C18H25N3OS/c1-13(2)21(14(3)4)18(22)19-11-10-16-12-23-17(20-16)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,19,22)
InChIKeyCSCVSYRJUSDYKD-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.18
Rot. Bonds6

About 3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea

3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea (PubChem CID 162652066) has the molecular formula C18H25N3OS and a molecular weight of 331.48 g/mol. Its IUPAC name is 3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea.

Molecular Properties

Compound Name3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea
PubChem CID162652066
Molecular FormulaC18H25N3OS
Molecular Weight331.48 g/mol
Exact Mass331.17
IUPAC Name3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)NCCc1csc(-c2ccccc2)n1)C(C)C
InChIInChI=1S/C18H25N3OS/c1-13(2)21(14(3)4)18(22)19-11-10-16-12-23-17(20-16)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,19,22)
InChIKeyCSCVSYRJUSDYKD-UHFFFAOYSA-N
XLogP4.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-2-thiazoleethanamine
CID 1497794
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
4-(4-Phenyl-thiazol-2-yl)-piperazine-1-carboxylic acid dimethylamide
CID 778223
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2475602
N-[(4-methylphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532745
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 4803987
N-[1-(4-fluorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4881245
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314
N-[[4-(2-thiophen-2-yl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 9344082
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
N-(2-(2-(4-chlorophenyl)-1,3-thiazol-4-yl)ethyl)butanamide
CID 7518316

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea?
The IUPAC name of 3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea (CID 162652066) is 3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea.
What is the SMILES notation for 3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea?
The canonical SMILES for 3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea is CC(C)N(C(=O)NCCc1csc(-c2ccccc2)n1)C(C)C.
What is the InChIKey of 3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea?
The InChIKey is CSCVSYRJUSDYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13(2)21(14(3)4)18(22)19-11-10-16-12-23-17(20-16)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,19,22).
What are the key properties of 3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea?
3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea has a molecular weight of 331.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,1-di(propan-2-yl)urea is sourced from PubChem (CID 162652066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).