1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea

C11H20N4S — CID 115583371

IUPAC1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NC(C)Cn1ccnc1
InChIInChI=1S/C11H20N4S/c1-9(2)6-13-11(16)14-10(3)7-15-5-4-12-8-15/h4-5,8-10H,6-7H2,1-3H3,(H2,13,14,16)
InChIKeyMHZTZSAQZMPJDH-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.39
Rot. Bonds5

About 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea

1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea (PubChem CID 115583371) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea
PubChem CID115583371
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NC(C)Cn1ccnc1
InChIInChI=1S/C11H20N4S/c1-9(2)6-13-11(16)14-10(3)7-15-5-4-12-8-15/h4-5,8-10H,6-7H2,1-3H3,(H2,13,14,16)
InChIKeyMHZTZSAQZMPJDH-UHFFFAOYSA-N
XLogP1.39
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.39
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-propylthiourea
CID 115583370
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide
CID 61155803
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
1-(3-imidazol-1-ylpropyl)-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 40519952
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107908503
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 97087354

Frequently Asked Questions

What is the IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea (CID 115583371) is 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea is CC(C)CNC(=S)NC(C)Cn1ccnc1.
What is the InChIKey of 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea?
The InChIKey is MHZTZSAQZMPJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9(2)6-13-11(16)14-10(3)7-15-5-4-12-8-15/h4-5,8-10H,6-7H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea?
1-(1-imidazol-1-ylpropan-2-yl)-3-(2-methylpropyl)thiourea has a molecular weight of 240.38 g/mol, XLogP of 1.39, 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-(2-methylpropyl)thiourea is sourced from PubChem (CID 115583371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).