1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea

C14H22N2OS — CID 19652810

IUPAC1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea
SMILESCCOc1ccccc1NC(=S)NC(C)(C)CC
InChIInChI=1S/C14H22N2OS/c1-5-14(3,4)16-13(18)15-11-9-7-8-10-12(11)17-6-2/h7-10H,5-6H2,1-4H3,(H2,15,16,18)
InChIKeyACLGOSKTZHXVPU-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.56
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea

1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea (PubChem CID 19652810) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea
PubChem CID19652810
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea
SMILESCCOc1ccccc1NC(=S)NC(C)(C)CC
InChIInChI=1S/C14H22N2OS/c1-5-14(3,4)16-13(18)15-11-9-7-8-10-12(11)17-6-2/h7-10H,5-6H2,1-4H3,(H2,15,16,18)
InChIKeyACLGOSKTZHXVPU-UHFFFAOYSA-N
XLogP3.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-decyl-3-(2-ethoxyphenyl)thiourea
CID 19651220
1-cycloheptyl-3-(2-ethoxyphenyl)thiourea
CID 19650473
1-[(3,5-dimethylphenyl)methyl]-3-(2-ethoxyphenyl)thiourea
CID 3837590
1-dodecyl-3-(2-ethoxyphenyl)thiourea
CID 19651397
1-(2-ethoxyphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 23938189
1-(3,5-difluorophenyl)-3-(2-ethoxyphenyl)thiourea
CID 53488862
pentyl 2-[(2-ethoxyphenyl)carbamothioylamino]acetate
CID 3736151
1-(2-ethoxyphenyl)-3-[1-(2-methylphenyl)ethyl]thiourea
CID 133207092
1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea
CID 19678089
1-[(2R)-2-benzylbutyl]-3-(2-ethoxyphenyl)thiourea
CID 100704417
1-(3,4-dimethoxyphenyl)-3-(2-ethoxyphenyl)thiourea
CID 971987
1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512967

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea (CID 19652810) is 1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea is CCOc1ccccc1NC(=S)NC(C)(C)CC.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea?
The InChIKey is ACLGOSKTZHXVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-5-14(3,4)16-13(18)15-11-9-7-8-10-12(11)17-6-2/h7-10H,5-6H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea?
1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea has a molecular weight of 266.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(2-methylbutan-2-yl)thiourea is sourced from PubChem (CID 19652810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).