[4-(dimethylamino)anilino]thiourea

C9H14N4S — CID 87110505

IUPAC[4-(dimethylamino)anilino]thiourea
SMILESCN(C)c1ccc(NNC(N)=S)cc1
InChIInChI=1S/C9H14N4S/c1-13(2)8-5-3-7(4-6-8)11-12-9(10)14/h3-6,11H,1-2H3,(H3,10,12,14)
InChIKeyAPEJALGYVIQONY-UHFFFAOYSA-N
MW210.31 g/mol
LogP0.91
Rot. Bonds3

About [4-(dimethylamino)anilino]thiourea

[4-(dimethylamino)anilino]thiourea (PubChem CID 87110505) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is [4-(dimethylamino)anilino]thiourea.

Molecular Properties

Compound Name[4-(dimethylamino)anilino]thiourea
PubChem CID87110505
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name[4-(dimethylamino)anilino]thiourea
SMILESCN(C)c1ccc(NNC(N)=S)cc1
InChIInChI=1S/C9H14N4S/c1-13(2)8-5-3-7(4-6-8)11-12-9(10)14/h3-6,11H,1-2H3,(H3,10,12,14)
InChIKeyAPEJALGYVIQONY-UHFFFAOYSA-N
XLogP0.91
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(4-sulfamoylanilino)thiourea
CID 2826112
1-[4-(dimethylamino)phenyl]-2-methylguanidine
CID 62381292
3-[4-(dimethylamino)anilino]pyrazine-2-carbothioamide
CID 55102849
1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine
CID 89056981
2-amino-3-[4-(dimethylamino)anilino]benzamide
CID 115544938
3-[4-(dimethylamino)phenyl]prop-2-enethioamide
CID 71356638
2-[4-(dimethylamino)anilino]pyridine-4-carbothioamide
CID 43617135
O-methyl 4-(dimethylamino)benzenecarbothioate
CID 46872087
1-[4-(2-acetylhydrazinyl)phenyl]-1-propylurea
CID 57001281
1-carbamothioyl-N-[4-(dimethylamino)phenyl]-3-methylcyclobutane-1-carboxamide
CID 80589868
[amino-[4-(dimethylamino)phenyl]methylidene]azanium
CID 6346842
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)anilino]thiourea?
The IUPAC name of [4-(dimethylamino)anilino]thiourea (CID 87110505) is [4-(dimethylamino)anilino]thiourea.
What is the SMILES notation for [4-(dimethylamino)anilino]thiourea?
The canonical SMILES for [4-(dimethylamino)anilino]thiourea is CN(C)c1ccc(NNC(N)=S)cc1.
What is the InChIKey of [4-(dimethylamino)anilino]thiourea?
The InChIKey is APEJALGYVIQONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-13(2)8-5-3-7(4-6-8)11-12-9(10)14/h3-6,11H,1-2H3,(H3,10,12,14).
What are the key properties of [4-(dimethylamino)anilino]thiourea?
[4-(dimethylamino)anilino]thiourea has a molecular weight of 210.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)anilino]thiourea is sourced from PubChem (CID 87110505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).