[[2-(oxolan-2-yl)acetyl]amino]thiourea

C7H13N3O2S — CID 65214510

IUPAC[[2-(oxolan-2-yl)acetyl]amino]thiourea
SMILESNC(=S)NNC(=O)CC1CCCO1
InChIInChI=1S/C7H13N3O2S/c8-7(13)10-9-6(11)4-5-2-1-3-12-5/h5H,1-4H2,(H,9,11)(H3,8,10,13)
InChIKeyNHCNZYUVVBGPJM-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.58
Rot. Bonds2

About [[2-(oxolan-2-yl)acetyl]amino]thiourea

[[2-(oxolan-2-yl)acetyl]amino]thiourea (PubChem CID 65214510) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is [[2-(oxolan-2-yl)acetyl]amino]thiourea.

Molecular Properties

Compound Name[[2-(oxolan-2-yl)acetyl]amino]thiourea
PubChem CID65214510
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name[[2-(oxolan-2-yl)acetyl]amino]thiourea
SMILESNC(=S)NNC(=O)CC1CCCO1
InChIInChI=1S/C7H13N3O2S/c8-7(13)10-9-6(11)4-5-2-1-3-12-5/h5H,1-4H2,(H,9,11)(H3,8,10,13)
InChIKeyNHCNZYUVVBGPJM-UHFFFAOYSA-N
XLogP-0.58
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(1-carbamothioyl-4-methylcyclohexyl)-2-(oxolan-2-yl)acetamide
CID 65156767
N-[(2-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 65159597
(3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide
CID 96524082
2-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 166002219
N-[2-(aminomethyl)cyclopentyl]-2-(oxolan-2-yl)acetamide;hydrochloride
CID 119260999
N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114146669
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide
CID 77057681
N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 65155863
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
N-[2-(methylamino)acetyl]-2-(oxolan-2-yl)acetamide
CID 56978091

Frequently Asked Questions

What is the IUPAC name of [[2-(oxolan-2-yl)acetyl]amino]thiourea?
The IUPAC name of [[2-(oxolan-2-yl)acetyl]amino]thiourea (CID 65214510) is [[2-(oxolan-2-yl)acetyl]amino]thiourea.
What is the SMILES notation for [[2-(oxolan-2-yl)acetyl]amino]thiourea?
The canonical SMILES for [[2-(oxolan-2-yl)acetyl]amino]thiourea is NC(=S)NNC(=O)CC1CCCO1.
What is the InChIKey of [[2-(oxolan-2-yl)acetyl]amino]thiourea?
The InChIKey is NHCNZYUVVBGPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-7(13)10-9-6(11)4-5-2-1-3-12-5/h5H,1-4H2,(H,9,11)(H3,8,10,13).
What are the key properties of [[2-(oxolan-2-yl)acetyl]amino]thiourea?
[[2-(oxolan-2-yl)acetyl]amino]thiourea has a molecular weight of 203.27 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(oxolan-2-yl)acetyl]amino]thiourea is sourced from PubChem (CID 65214510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).