[[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea

C10H14N4OS — CID 2747693

IUPAC[[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea
SMILESCN(C)c1ccc(C=NNC(N)=S)c(O)c1
InChIInChI=1S/C10H14N4OS/c1-14(2)8-4-3-7(9(15)5-8)6-12-13-10(11)16/h3-6,15H,1-2H3,(H3,11,13,16)
InChIKeyGVLCLZKBUDROKI-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.63
Rot. Bonds3

About [[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea

[[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea (PubChem CID 2747693) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is [[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea
PubChem CID2747693
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name[[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea
SMILESCN(C)c1ccc(C=NNC(N)=S)c(O)c1
InChIInChI=1S/C10H14N4OS/c1-14(2)8-4-3-7(9(15)5-8)6-12-13-10(11)16/h3-6,15H,1-2H3,(H3,11,13,16)
InChIKeyGVLCLZKBUDROKI-UHFFFAOYSA-N
XLogP0.63
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

Hydrazinecarbothioamide, 2-((2-hydroxyphenyl)methylene)-N-phenyl-
CID 135434847
2-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
CID 135433199
[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea
CID 135435710
2-{(E)-[(5-amino-1H-tetrazol-1-yl)imino]methyl}-5-(diethylamino)phenol
CID 135449202
5-(Diethylamino)-2-[(phenylimino)methyl]phenol
CID 641174
N'-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylidene]ethoxycarbohydrazide
CID 135401245
1-[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]-3-methylthiourea
CID 135519865
5-(diethylamino)-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135521597
1-benzyl-3-[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea
CID 135521626
1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-phenylthiourea
CID 135560362
5-(diethylamino)-2-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]phenol
CID 135614214
5-(Diethylamino)-2-{[(4-methylphenyl)imino]methyl}phenol
CID 832535

Frequently Asked Questions

What is the IUPAC name of [[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea?
The IUPAC name of [[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea (CID 2747693) is [[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea.
What is the SMILES notation for [[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea?
The canonical SMILES for [[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea is CN(C)c1ccc(C=NNC(N)=S)c(O)c1.
What is the InChIKey of [[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea?
The InChIKey is GVLCLZKBUDROKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-14(2)8-4-3-7(9(15)5-8)6-12-13-10(11)16/h3-6,15H,1-2H3,(H3,11,13,16).
What are the key properties of [[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea?
[[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea has a molecular weight of 238.32 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]thiourea is sourced from PubChem (CID 2747693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).