1-(4-aminophenyl)-3-propan-2-ylthiourea

C10H15N3S — CID 127512873

IUPAC1-(4-aminophenyl)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)Nc1ccc(N)cc1
InChIInChI=1S/C10H15N3S/c1-7(2)12-10(14)13-9-5-3-8(11)4-6-9/h3-7H,11H2,1-2H3,(H2,12,13,14)
InChIKeyZKARCHWIIIYBBJ-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.96
Rot. Bonds2

About 1-(4-aminophenyl)-3-propan-2-ylthiourea

1-(4-aminophenyl)-3-propan-2-ylthiourea (PubChem CID 127512873) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-propan-2-ylthiourea
PubChem CID127512873
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-(4-aminophenyl)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)Nc1ccc(N)cc1
InChIInChI=1S/C10H15N3S/c1-7(2)12-10(14)13-9-5-3-8(11)4-6-9/h3-7H,11H2,1-2H3,(H2,12,13,14)
InChIKeyZKARCHWIIIYBBJ-UHFFFAOYSA-N
XLogP1.96
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-3-[4-(propan-2-ylcarbamothioylamino)phenyl]thiourea
CID 163289921
1-(4-methoxyphenyl)-3-propan-2-ylthiourea;sulfane
CID 159797828
1,4-diisothiocyanatobenzene;1-(4-isothiocyanatophenyl)-3-propan-2-ylthiourea;propan-2-amine
CID 158562097
1-(4-aminophenyl)-3-phenylthiourea
CID 4566503
propan-2-yl 4-(propan-2-ylcarbamothioylamino)benzoate
CID 8654493
1-propan-2-yl-3-(4-propoxyphenyl)thiourea
CID 113345148
1-[4-(4-methyl-2-sulfanylidenepentyl)phenyl]-3-propan-2-ylthiourea
CID 167584913
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea
CID 8616060
1-[4-(4-methyl-2-propan-2-ylpentyl)phenyl]-3-propan-2-ylthiourea
CID 155766811
N,N-diethyl-4-(propan-2-ylcarbamothioylamino)benzamide
CID 8684090
N-[(4-aminophenyl)carbamothioyl]-4-propan-2-ylbenzamide;hydrochloride
CID 88531052
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-propan-2-ylthiourea
CID 8629267

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(4-aminophenyl)-3-propan-2-ylthiourea (CID 127512873) is 1-(4-aminophenyl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(4-aminophenyl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(4-aminophenyl)-3-propan-2-ylthiourea is CC(C)NC(=S)Nc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-propan-2-ylthiourea?
The InChIKey is ZKARCHWIIIYBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7(2)12-10(14)13-9-5-3-8(11)4-6-9/h3-7H,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(4-aminophenyl)-3-propan-2-ylthiourea?
1-(4-aminophenyl)-3-propan-2-ylthiourea has a molecular weight of 209.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-propan-2-ylthiourea is sourced from PubChem (CID 127512873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).