1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea

C17H21N3O2S — CID 59732830

IUPAC1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCc1ccc(NC(=O)Nc2nccs2)c(OCC2CCCC2)c1
InChIInChI=1S/C17H21N3O2S/c1-12-6-7-14(19-16(21)20-17-18-8-9-23-17)15(10-12)22-11-13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H2,18,19,20,21)
InChIKeyFIFZWQMRFZAZCN-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.66
Rot. Bonds5

About 1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea

1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 59732830) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID59732830
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCc1ccc(NC(=O)Nc2nccs2)c(OCC2CCCC2)c1
InChIInChI=1S/C17H21N3O2S/c1-12-6-7-14(19-16(21)20-17-18-8-9-23-17)15(10-12)22-11-13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H2,18,19,20,21)
InChIKeyFIFZWQMRFZAZCN-UHFFFAOYSA-N
XLogP4.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-(3-methylbut-2-enoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733134
1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 59732966
1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733062
4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 11222117
1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
CID 2401380
1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733088
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 715604
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104
1-(4-methyl-2-pentylsulfinylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 174531548
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-ethoxy-4-methylphenyl)urea
CID 111976318
methyl 4-[3-cyclopentyl-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]benzoate
CID 20707097
2-[2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 59732755

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea (CID 59732830) is 1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea is Cc1ccc(NC(=O)Nc2nccs2)c(OCC2CCCC2)c1.
What is the InChIKey of 1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is FIFZWQMRFZAZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-6-7-14(19-16(21)20-17-18-8-9-23-17)15(10-12)22-11-13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H2,18,19,20,21).
What are the key properties of 1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 331.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59732830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).