1-acetamido-3-propylthiourea

C6H13N3OS — CID 17370768

IUPAC1-acetamido-3-propylthiourea
SMILESCCCNC(=S)NNC(C)=O
InChIInChI=1S/C6H13N3OS/c1-3-4-7-6(11)9-8-5(2)10/h3-4H2,1-2H3,(H,8,10)(H2,7,9,11)
InChIKeyPFJHNVBKXXYRAY-UHFFFAOYSA-N
MW175.26 g/mol
LogP-0.09
Rot. Bonds2

About 1-acetamido-3-propylthiourea

1-acetamido-3-propylthiourea (PubChem CID 17370768) has the molecular formula C6H13N3OS and a molecular weight of 175.26 g/mol. Its IUPAC name is 1-acetamido-3-propylthiourea.

Molecular Properties

Compound Name1-acetamido-3-propylthiourea
PubChem CID17370768
Molecular FormulaC6H13N3OS
Molecular Weight175.26 g/mol
Exact Mass175.08
IUPAC Name1-acetamido-3-propylthiourea
SMILESCCCNC(=S)NNC(C)=O
InChIInChI=1S/C6H13N3OS/c1-3-4-7-6(11)9-8-5(2)10/h3-4H2,1-2H3,(H,8,10)(H2,7,9,11)
InChIKeyPFJHNVBKXXYRAY-UHFFFAOYSA-N
XLogP-0.09
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
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

Propanoic acid, 2,2-dimethyl-, 2-[(methylamino)thioxomethyl]hydrazide
CID 3034714
2-(Propylcarbamothioyl)hydrazine-1-carboxamide
CID 4682802
(Ethylcarbamothioylamino)urea
CID 3981044
(Butylcarbamothioylamino)urea
CID 15496674
1-Propionyl-4-methylthiosemicarbazide
CID 87145727
1-Butyl-3-[(2,2,2-trifluoroacetyl)amino]thiourea
CID 20189780
1-Propan-2-yl-3-[(2,2,2-trifluoroacetyl)amino]thiourea
CID 20189782
1-Trifluoroacetyl-4-ethyl-3-thiosemicarbazide
CID 20189787
1-Butyl-3-[[2-[2-(butylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea
CID 3524813
2-acetyl-N-cyclopropylhydrazinecarbothioamide
CID 129732133
1-Acetamido-3-(2,2,2-trifluoroethyl)thiourea
CID 130628973
1-Ethyl-3-[(2-fluoro-2-methylpropanoyl)amino]thiourea
CID 130660985

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-3-propylthiourea?
The IUPAC name of 1-acetamido-3-propylthiourea (CID 17370768) is 1-acetamido-3-propylthiourea.
What is the SMILES notation for 1-acetamido-3-propylthiourea?
The canonical SMILES for 1-acetamido-3-propylthiourea is CCCNC(=S)NNC(C)=O.
What is the InChIKey of 1-acetamido-3-propylthiourea?
The InChIKey is PFJHNVBKXXYRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3OS/c1-3-4-7-6(11)9-8-5(2)10/h3-4H2,1-2H3,(H,8,10)(H2,7,9,11).
What are the key properties of 1-acetamido-3-propylthiourea?
1-acetamido-3-propylthiourea has a molecular weight of 175.26 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-acetamido-3-propylthiourea is sourced from PubChem (CID 17370768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).