1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea

C10H18N4S — CID 115583370

IUPAC1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea
SMILESCCCNC(=S)NC(C)Cn1ccnc1
InChIInChI=1S/C10H18N4S/c1-3-4-12-10(15)13-9(2)7-14-6-5-11-8-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,12,13,15)
InChIKeyIZORJOWGEKJJEW-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.15
Rot. Bonds5

About 1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea

1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea (PubChem CID 115583370) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea.

Molecular Properties

Compound Name1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea
PubChem CID115583370
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea
SMILESCCCNC(=S)NC(C)Cn1ccnc1
InChIInChI=1S/C10H18N4S/c1-3-4-12-10(15)13-9(2)7-14-6-5-11-8-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,12,13,15)
InChIKeyIZORJOWGEKJJEW-UHFFFAOYSA-N
XLogP1.15
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea
CID 115583371
1-(3-imidazol-1-ylpropyl)-3-propylthiourea
CID 17374308
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide
CID 54959021
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
1-(3-imidazol-1-ylpropyl)-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 40519952
N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide
CID 54959136
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107568307
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826

Frequently Asked Questions

What is the IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea?
The IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea (CID 115583370) is 1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea.
What is the SMILES notation for 1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea?
The canonical SMILES for 1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea is CCCNC(=S)NC(C)Cn1ccnc1.
What is the InChIKey of 1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea?
The InChIKey is IZORJOWGEKJJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-4-12-10(15)13-9(2)7-14-6-5-11-8-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea?
1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea has a molecular weight of 226.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea is sourced from PubChem (CID 115583370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).