1-[(2-cyclopropylacetyl)amino]-3-methylthiourea

C7H13N3OS — CID 130718615

IUPAC1-[(2-cyclopropylacetyl)amino]-3-methylthiourea
SMILESCNC(=S)NNC(=O)CC1CC1
InChIInChI=1S/C7H13N3OS/c1-8-7(12)10-9-6(11)4-5-2-3-5/h5H,2-4H2,1H3,(H,9,11)(H2,8,10,12)
InChIKeyWZXGFOJBOLNTBE-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.09
Rot. Bonds2

About 1-[(2-cyclopropylacetyl)amino]-3-methylthiourea

1-[(2-cyclopropylacetyl)amino]-3-methylthiourea (PubChem CID 130718615) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-[(2-cyclopropylacetyl)amino]-3-methylthiourea.

Molecular Properties

Compound Name1-[(2-cyclopropylacetyl)amino]-3-methylthiourea
PubChem CID130718615
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name1-[(2-cyclopropylacetyl)amino]-3-methylthiourea
SMILESCNC(=S)NNC(=O)CC1CC1
InChIInChI=1S/C7H13N3OS/c1-8-7(12)10-9-6(11)4-5-2-3-5/h5H,2-4H2,1H3,(H,9,11)(H2,8,10,12)
InChIKeyWZXGFOJBOLNTBE-UHFFFAOYSA-N
XLogP-0.09
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-cyclobutyl-N-methylacetamide
CID 57296172
N-methyl-4-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 155198720
N-[2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoethyl]acetamide
CID 130618938
N'-(2-cyclopentylacetyl)-3-ethoxypropanehydrazide
CID 54786394
1-tert-butyl-3-(3-cyclopentylpropanoylamino)thiourea
CID 9425467
1-cyclopentyl-3-(methylcarbamothioylamino)thiourea
CID 8789272
2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 54786405
2-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79252136
tert-butyl N-[(2-cyclohexylacetyl)amino]carbamate
CID 17369174
N-methyl-2-[(3-methylcyclopentyl)methylamino]acetamide
CID 107412602
1-cyclopentyl-3-(propanoylamino)thiourea
CID 17372527
N-[(butanoylamino)carbamothioyl]cyclohexanecarboxamide
CID 17340126

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropylacetyl)amino]-3-methylthiourea?
The IUPAC name of 1-[(2-cyclopropylacetyl)amino]-3-methylthiourea (CID 130718615) is 1-[(2-cyclopropylacetyl)amino]-3-methylthiourea.
What is the SMILES notation for 1-[(2-cyclopropylacetyl)amino]-3-methylthiourea?
The canonical SMILES for 1-[(2-cyclopropylacetyl)amino]-3-methylthiourea is CNC(=S)NNC(=O)CC1CC1.
What is the InChIKey of 1-[(2-cyclopropylacetyl)amino]-3-methylthiourea?
The InChIKey is WZXGFOJBOLNTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-8-7(12)10-9-6(11)4-5-2-3-5/h5H,2-4H2,1H3,(H,9,11)(H2,8,10,12).
What are the key properties of 1-[(2-cyclopropylacetyl)amino]-3-methylthiourea?
1-[(2-cyclopropylacetyl)amino]-3-methylthiourea has a molecular weight of 187.27 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropylacetyl)amino]-3-methylthiourea is sourced from PubChem (CID 130718615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).