1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea

C15H25N3S — CID 8616060

IUPAC1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea
SMILESCCN(c1ccc(NC(=S)NC(C)C)cc1)C(C)C
InChIInChI=1S/C15H25N3S/c1-6-18(12(4)5)14-9-7-13(8-10-14)17-15(19)16-11(2)3/h7-12H,6H2,1-5H3,(H2,16,17,19)
InChIKeyZCWUTARMKKTXDA-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.62
Rot. Bonds5

About 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea

1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea (PubChem CID 8616060) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea
PubChem CID8616060
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea
SMILESCCN(c1ccc(NC(=S)NC(C)C)cc1)C(C)C
InChIInChI=1S/C15H25N3S/c1-6-18(12(4)5)14-9-7-13(8-10-14)17-15(19)16-11(2)3/h7-12H,6H2,1-5H3,(H2,16,17,19)
InChIKeyZCWUTARMKKTXDA-UHFFFAOYSA-N
XLogP3.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.62
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-cyclohexyl-3-[4-[ethyl(propan-2-yl)amino]phenyl]thiourea
CID 7941710
1-propan-2-yl-3-[4-(propan-2-ylcarbamothioylamino)phenyl]thiourea
CID 163289921
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 11930366
N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide
CID 8684090
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
1-(4-aminophenyl)-3-propan-2-ylthiourea
CID 127512873
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 110890686
3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
1-propan-2-yl-3-(4-propoxyphenyl)thiourea
CID 113345148
2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2104267

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea?
The IUPAC name of 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea (CID 8616060) is 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea.
What is the SMILES notation for 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea?
The canonical SMILES for 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea is CCN(c1ccc(NC(=S)NC(C)C)cc1)C(C)C.
What is the InChIKey of 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea?
The InChIKey is ZCWUTARMKKTXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-6-18(12(4)5)14-9-7-13(8-10-14)17-15(19)16-11(2)3/h7-12H,6H2,1-5H3,(H2,16,17,19).
What are the key properties of 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea?
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea has a molecular weight of 279.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea is sourced from PubChem (CID 8616060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).