1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea

C15H15N3O2S — CID 3964823

IUPAC1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C15H15N3O2S/c1-2-7-16-15(21)18-17-14(20)12-8-10-5-3-4-6-11(10)9-13(12)19/h2-6,8-9,19H,1,7H2,(H,17,20)(H2,16,18,21)
InChIKeyOMWUNSHUUNEYKR-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.84
Rot. Bonds3

About 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea

1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea (PubChem CID 3964823) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea
PubChem CID3964823
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NNC(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C15H15N3O2S/c1-2-7-16-15(21)18-17-14(20)12-8-10-5-3-4-6-11(10)9-13(12)19/h2-6,8-9,19H,1,7H2,(H,17,20)(H2,16,18,21)
InChIKeyOMWUNSHUUNEYKR-UHFFFAOYSA-N
XLogP1.84
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
CID 7988148
1-[(2-phenylquinoline-4-carbonyl)amino]-3-prop-2-enylthiourea
CID 12938019
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8669415
ethyl 4-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]-4-oxobut-2-enoate
CID 3489709
2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
CID 969323
3-amino-N-prop-2-enylnaphthalene-2-carboxamide
CID 61207809
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
CID 98552547
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(3-methoxyphenyl)thiourea
CID 8000990
4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate
CID 7034789
2,4-dihydroxy-N-prop-2-enylbenzamide
CID 103608413
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
CID 24819542

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea?
The IUPAC name of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea (CID 3964823) is 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea?
The canonical SMILES for 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea is C=CCNC(=S)NNC(=O)c1cc2ccccc2cc1O.
What is the InChIKey of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea?
The InChIKey is OMWUNSHUUNEYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-7-16-15(21)18-17-14(20)12-8-10-5-3-4-6-11(10)9-13(12)19/h2-6,8-9,19H,1,7H2,(H,17,20)(H2,16,18,21).
What are the key properties of 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea?
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea has a molecular weight of 301.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea is sourced from PubChem (CID 3964823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).