1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea

C7H13N3O2S — CID 99965130

IUPAC1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NNC(=O)[C@@H](C)O
InChIInChI=1S/C7H13N3O2S/c1-3-4-8-7(13)10-9-6(12)5(2)11/h3,5,11H,1,4H2,2H3,(H,9,12)(H2,8,10,13)/t5-/m1/s1
InChIKeyHZHHLBIFTROZJX-RXMQYKEDSA-N
MW203.27 g/mol
LogP-0.95
Rot. Bonds3

About 1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea

1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea (PubChem CID 99965130) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea
PubChem CID99965130
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NNC(=O)[C@@H](C)O
InChIInChI=1S/C7H13N3O2S/c1-3-4-8-7(13)10-9-6(12)5(2)11/h3,5,11H,1,4H2,2H3,(H,9,12)(H2,8,10,13)/t5-/m1/s1
InChIKeyHZHHLBIFTROZJX-RXMQYKEDSA-N
XLogP-0.95
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.95
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'}

Analyze 1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea with MolForge

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Related Compounds

tert-butyl N-(prop-2-enylcarbamothioylamino)carbamate
CID 3582020
1-[[(2R)-2-(2-chlorophenoxy)propanoyl]amino]-3-prop-2-enylthiourea
CID 27509995
1-[2-(2,4-difluorophenoxy)propanoylamino]-3-prop-2-enylthiourea
CID 17373407
1-[2-(3-chlorophenoxy)propanoylamino]-3-prop-2-enylthiourea
CID 17371318
1-(cyclopropanecarbonylamino)-3-prop-2-enylthiourea
CID 5192856
1-(octadecanoylamino)-3-prop-2-enylthiourea
CID 11463658
N-[3-methyl-1-oxo-1-[2-(prop-2-enylcarbamothioyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 102556212
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
1-prop-2-enyl-3-[[(2S)-tridecan-2-yl]carbamothioylamino]thiourea
CID 98132831
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
CID 59934483
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea?
The IUPAC name of 1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea (CID 99965130) is 1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea?
The canonical SMILES for 1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea is C=CCNC(=S)NNC(=O)[C@@H](C)O.
What is the InChIKey of 1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea?
The InChIKey is HZHHLBIFTROZJX-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-3-4-8-7(13)10-9-6(12)5(2)11/h3,5,11H,1,4H2,2H3,(H,9,12)(H2,8,10,13)/t5-/m1/s1.
What are the key properties of 1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea?
1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea has a molecular weight of 203.27 g/mol, XLogP of -0.95, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-hydroxypropanoyl]amino]-3-prop-2-enylthiourea is sourced from PubChem (CID 99965130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).