1-[acetyl(methyl)amino]-3-propylthiourea

C7H15N3OS — CID 45119521

IUPAC1-[acetyl(methyl)amino]-3-propylthiourea
SMILESCCCNC(=S)NN(C)C(C)=O
InChIInChI=1S/C7H15N3OS/c1-4-5-8-7(12)9-10(3)6(2)11/h4-5H2,1-3H3,(H2,8,9,12)
InChIKeyVPUIPLULKCPNGT-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.25
Rot. Bonds2

About 1-[acetyl(methyl)amino]-3-propylthiourea

1-[acetyl(methyl)amino]-3-propylthiourea (PubChem CID 45119521) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-[acetyl(methyl)amino]-3-propylthiourea.

Molecular Properties

Compound Name1-[acetyl(methyl)amino]-3-propylthiourea
PubChem CID45119521
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Name1-[acetyl(methyl)amino]-3-propylthiourea
SMILESCCCNC(=S)NN(C)C(C)=O
InChIInChI=1S/C7H15N3OS/c1-4-5-8-7(12)9-10(3)6(2)11/h4-5H2,1-3H3,(H2,8,9,12)
InChIKeyVPUIPLULKCPNGT-UHFFFAOYSA-N
XLogP0.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
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

1-ethyl-3-[methyl(propanoyl)amino]thiourea
CID 91730293
2-oxo-N-propylpropanamide
CID 13291521
1-methyl-3-propyl-1-sulfanylurea
CID 56993771
1-(2-hydroxyethyl)-3-propylthiourea
CID 2824653
1-(dimethylamino)-3-hexylthiourea
CID 4066671
N-methyl-3-(propylcarbamothioylamino)propanamide
CID 116508065
bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea
CID 88765209
ethyl N-[acetyl(methyl)amino]carbamate
CID 175377387
1-methyl-1-(prop-1-en-2-ylcarbamoyl)-3-propylurea
CID 88981943
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097
1-methyl-1-methylsulfonyl-3-propylurea
CID 173463477
(E)-3-hydroxy-2-methyl-N-propylbut-2-enamide
CID 87242208

Frequently Asked Questions

What is the IUPAC name of 1-[acetyl(methyl)amino]-3-propylthiourea?
The IUPAC name of 1-[acetyl(methyl)amino]-3-propylthiourea (CID 45119521) is 1-[acetyl(methyl)amino]-3-propylthiourea.
What is the SMILES notation for 1-[acetyl(methyl)amino]-3-propylthiourea?
The canonical SMILES for 1-[acetyl(methyl)amino]-3-propylthiourea is CCCNC(=S)NN(C)C(C)=O.
What is the InChIKey of 1-[acetyl(methyl)amino]-3-propylthiourea?
The InChIKey is VPUIPLULKCPNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-4-5-8-7(12)9-10(3)6(2)11/h4-5H2,1-3H3,(H2,8,9,12).
What are the key properties of 1-[acetyl(methyl)amino]-3-propylthiourea?
1-[acetyl(methyl)amino]-3-propylthiourea has a molecular weight of 189.28 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(methyl)amino]-3-propylthiourea is sourced from PubChem (CID 45119521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).