1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea

C11H18N2S2 — CID 115590115

IUPAC1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea
SMILESCCCNC(=S)NC(C)Cc1ccsc1
InChIInChI=1S/C11H18N2S2/c1-3-5-12-11(14)13-9(2)7-10-4-6-15-8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,12,13,14)
InChIKeyIKHQJBVGEDGRRT-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.55
Rot. Bonds5

About 1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea

1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea (PubChem CID 115590115) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea
PubChem CID115590115
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea
SMILESCCCNC(=S)NC(C)Cc1ccsc1
InChIInChI=1S/C11H18N2S2/c1-3-5-12-11(14)13-9(2)7-10-4-6-15-8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,12,13,14)
InChIKeyIKHQJBVGEDGRRT-UHFFFAOYSA-N
XLogP2.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 79805381
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
2-[(1-thiophen-3-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65223500
(2S)-2-hydroxy-4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 107838978
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide
CID 61473652
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea?
The IUPAC name of 1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea (CID 115590115) is 1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea.
What is the SMILES notation for 1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea?
The canonical SMILES for 1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea is CCCNC(=S)NC(C)Cc1ccsc1.
What is the InChIKey of 1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea?
The InChIKey is IKHQJBVGEDGRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-3-5-12-11(14)13-9(2)7-10-4-6-15-8-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea?
1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea has a molecular weight of 242.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(1-thiophen-3-ylpropan-2-yl)thiourea is sourced from PubChem (CID 115590115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).