1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea

C15H18N4OS — CID 135597210

IUPAC1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea
SMILESC=CCn1c(O)c(/N=N/C(=S)NCCC)c2ccccc21
InChIInChI=1S/C15H18N4OS/c1-3-9-16-15(21)18-17-13-11-7-5-6-8-12(11)19(10-4-2)14(13)20/h4-8,20H,2-3,9-10H2,1H3,(H,16,21)/b18-17+
InChIKeyYDLZJXJWBZASRP-ISLYRVAYSA-N
MW302.40 g/mol
LogP3.90
Rot. Bonds5

About 1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea

1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea (PubChem CID 135597210) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea.

Molecular Properties

Compound Name1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea
PubChem CID135597210
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea
SMILESC=CCn1c(O)c(/N=N/C(=S)NCCC)c2ccccc21
InChIInChI=1S/C15H18N4OS/c1-3-9-16-15(21)18-17-13-11-7-5-6-8-12(11)19(10-4-2)14(13)20/h4-8,20H,2-3,9-10H2,1H3,(H,16,21)/b18-17+
InChIKeyYDLZJXJWBZASRP-ISLYRVAYSA-N
XLogP3.90
TPSA61.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

methyl N-(2-hydroxy-1-prop-2-enylindol-3-yl)iminocarbamodithioate
CID 1221715
1-(1-ethyl-2-hydroxyindol-3-yl)imino-3-(3-methylsulfanylpropyl)thiourea
CID 135816440
1-(1-benzyl-2-hydroxyindol-3-yl)imino-3-prop-2-enylthiourea
CID 3362907
ethyl 2-[2-hydroxy-3-(prop-2-enylcarbamothioyldiazenyl)indol-1-yl]acetate
CID 135731078
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805
1-[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino-3-(2-methoxyethyl)thiourea
CID 2341281
1-(1-butyl-2-hydroxyindol-3-yl)imino-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 135689864
methyl 6-[(1-ethyl-2-hydroxyindol-3-yl)iminocarbamothioylamino]hexanoate
CID 135788179
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2-hydroxy-1-prop-2-enylindol-3-yl)iminocarbamothioylamino]oxan-2-yl]methyl acetate
CID 137316433
1-(2-hydroxy-1-methylindol-3-yl)imino-3-(2-phenylethyl)thiourea
CID 135597183
N-[2-[(2-hydroxy-1-prop-2-enylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 1393033
(E)-N-[2-[(2-hydroxy-1-prop-2-enylindol-3-yl)diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 135437899

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea?
The IUPAC name of 1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea (CID 135597210) is 1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea.
What is the SMILES notation for 1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea?
The canonical SMILES for 1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea is C=CCn1c(O)c(/N=N/C(=S)NCCC)c2ccccc21.
What is the InChIKey of 1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea?
The InChIKey is YDLZJXJWBZASRP-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-3-9-16-15(21)18-17-13-11-7-5-6-8-12(11)19(10-4-2)14(13)20/h4-8,20H,2-3,9-10H2,1H3,(H,16,21)/b18-17+.
What are the key properties of 1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea?
1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea has a molecular weight of 302.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-3-propylthiourea is sourced from PubChem (CID 135597210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).