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

C17H20N4OS — CID 56823468

IUPAC1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESCC(C)c1nc(CCNC(=O)NCc2ccc(C#N)cc2)cs1
InChIInChI=1S/C17H20N4OS/c1-12(2)16-21-15(11-23-16)7-8-19-17(22)20-10-14-5-3-13(9-18)4-6-14/h3-6,11-12H,7-8,10H2,1-2H3,(H2,19,20,22)
InChIKeyUUBMVHVFEROWFN-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.18
Rot. Bonds6

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

1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 56823468) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID56823468
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESCC(C)c1nc(CCNC(=O)NCc2ccc(C#N)cc2)cs1
InChIInChI=1S/C17H20N4OS/c1-12(2)16-21-15(11-23-16)7-8-19-17(22)20-10-14-5-3-13(9-18)4-6-14/h3-6,11-12H,7-8,10H2,1-2H3,(H2,19,20,22)
InChIKeyUUBMVHVFEROWFN-UHFFFAOYSA-N
XLogP3.18
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
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2-methyl-1-[(4-methylphenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111243463
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 111505742
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081
3-cyano-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728060
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
CID 145463138
1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea
CID 110397912
N-[(4-tert-butylphenyl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 90758793
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 111480762
2-amino-2-(4-methylphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120670027
2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869430
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea (CID 56823468) is 1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea is CC(C)c1nc(CCNC(=O)NCc2ccc(C#N)cc2)cs1.
What is the InChIKey of 1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is UUBMVHVFEROWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-12(2)16-21-15(11-23-16)7-8-19-17(22)20-10-14-5-3-13(9-18)4-6-14/h3-6,11-12H,7-8,10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea?
1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 328.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 56823468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).