(dipentylamino)thiourea;thiourea

C12H29N5S2 — CID 118437524

IUPAC(dipentylamino)thiourea;thiourea
SMILESCCCCCN(CCCCC)NC(N)=S.NC(N)=S
InChIInChI=1S/C11H25N3S.CH4N2S/c1-3-5-7-9-14(13-11(12)15)10-8-6-4-2;2-1(3)4/h3-10H2,1-2H3,(H3,12,13,15);(H4,2,3,4)
InChIKeyFHMIYSIKBWXEKR-UHFFFAOYSA-N
MW307.53 g/mol
LogP1.61
Rot. Bonds9

About (dipentylamino)thiourea;thiourea

(dipentylamino)thiourea;thiourea (PubChem CID 118437524) has the molecular formula C12H29N5S2 and a molecular weight of 307.53 g/mol. Its IUPAC name is (dipentylamino)thiourea;thiourea.

Molecular Properties

Compound Name(dipentylamino)thiourea;thiourea
PubChem CID118437524
Molecular FormulaC12H29N5S2
Molecular Weight307.53 g/mol
Exact Mass307.19
IUPAC Name(dipentylamino)thiourea;thiourea
SMILESCCCCCN(CCCCC)NC(N)=S.NC(N)=S
InChIInChI=1S/C11H25N3S.CH4N2S/c1-3-5-7-9-14(13-11(12)15)10-8-6-4-2;2-1(3)4/h3-10H2,1-2H3,(H3,12,13,15);(H4,2,3,4)
InChIKeyFHMIYSIKBWXEKR-UHFFFAOYSA-N
XLogP1.61
TPSA93.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (dipentylamino)thiourea;thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dipropylthiosemicarbazone
CID 86251649
(1-Ethylpiperidin-1-ium-1-yl)thiourea
CID 18537278
(Dipentylamino)thiourea
CID 118437494
1-Amino-3-(dipropylamino)thiourea
CID 55281697
(Dipentylamino)carbamodithioic acid
CID 158653058

Frequently Asked Questions

What is the IUPAC name of (dipentylamino)thiourea;thiourea?
The IUPAC name of (dipentylamino)thiourea;thiourea (CID 118437524) is (dipentylamino)thiourea;thiourea.
What is the SMILES notation for (dipentylamino)thiourea;thiourea?
The canonical SMILES for (dipentylamino)thiourea;thiourea is CCCCCN(CCCCC)NC(N)=S.NC(N)=S.
What is the InChIKey of (dipentylamino)thiourea;thiourea?
The InChIKey is FHMIYSIKBWXEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3S.CH4N2S/c1-3-5-7-9-14(13-11(12)15)10-8-6-4-2;2-1(3)4/h3-10H2,1-2H3,(H3,12,13,15);(H4,2,3,4).
What are the key properties of (dipentylamino)thiourea;thiourea?
(dipentylamino)thiourea;thiourea has a molecular weight of 307.53 g/mol, XLogP of 1.61, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (dipentylamino)thiourea;thiourea is sourced from PubChem (CID 118437524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).