1-[(E)-2-aminopropylideneamino]-1-methylthiourea

C5H12N4S — CID 142935969

IUPAC1-[(E)-2-aminopropylideneamino]-1-methylthiourea
SMILESCC(N)/C=N/N(C)C(N)=S
InChIInChI=1S/C5H12N4S/c1-4(6)3-8-9(2)5(7)10/h3-4H,6H2,1-2H3,(H2,7,10)/b8-3+
InChIKeyIBQQVRSZTJCZSB-FPYGCLRLSA-N
MW160.25 g/mol
LogP-0.51
Rot. Bonds2

About 1-[(E)-2-aminopropylideneamino]-1-methylthiourea

1-[(E)-2-aminopropylideneamino]-1-methylthiourea (PubChem CID 142935969) has the molecular formula C5H12N4S and a molecular weight of 160.25 g/mol. Its IUPAC name is 1-[(E)-2-aminopropylideneamino]-1-methylthiourea.

Molecular Properties

Compound Name1-[(E)-2-aminopropylideneamino]-1-methylthiourea
PubChem CID142935969
Molecular FormulaC5H12N4S
Molecular Weight160.25 g/mol
Exact Mass160.08
IUPAC Name1-[(E)-2-aminopropylideneamino]-1-methylthiourea
SMILESCC(N)/C=N/N(C)C(N)=S
InChIInChI=1S/C5H12N4S/c1-4(6)3-8-9(2)5(7)10/h3-4H,6H2,1-2H3,(H2,7,10)/b8-3+
InChIKeyIBQQVRSZTJCZSB-FPYGCLRLSA-N
XLogP-0.51
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-[(Z)-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]thiourea
CID 10014380
methyl (2E)-2-[carbamothioyl(methyl)hydrazinylidene]acetate
CID 15150732
1-[(2-hydroxyphenyl)methylideneamino]-1-methylthiourea
CID 137176391
1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine
CID 142458889
1-methyl-1-[(E)-pyrazin-2-ylmethylideneamino]thiourea
CID 119092645
(2R)-2-aminopropanethioamide
CID 55285662
(2E)-2-[carbamothioyl-(2-propan-2-ylphenyl)hydrazinylidene]acetic acid
CID 135122647
N-(1-aminoethyl)-N-methylethanethioamide
CID 155041594
1-methyl-1-(3-methylbutyl)thiourea
CID 61428905
1-ethyl-1-(ethylideneamino)thiourea
CID 88775197
(E)-1,3-diaminobut-1-en-1-ol
CID 118411260
(2R)-2-amino-3-methylbutanethioamide
CID 95241232

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-aminopropylideneamino]-1-methylthiourea?
The IUPAC name of 1-[(E)-2-aminopropylideneamino]-1-methylthiourea (CID 142935969) is 1-[(E)-2-aminopropylideneamino]-1-methylthiourea.
What is the SMILES notation for 1-[(E)-2-aminopropylideneamino]-1-methylthiourea?
The canonical SMILES for 1-[(E)-2-aminopropylideneamino]-1-methylthiourea is CC(N)/C=N/N(C)C(N)=S.
What is the InChIKey of 1-[(E)-2-aminopropylideneamino]-1-methylthiourea?
The InChIKey is IBQQVRSZTJCZSB-FPYGCLRLSA-N. The full InChI is InChI=1S/C5H12N4S/c1-4(6)3-8-9(2)5(7)10/h3-4H,6H2,1-2H3,(H2,7,10)/b8-3+.
What are the key properties of 1-[(E)-2-aminopropylideneamino]-1-methylthiourea?
1-[(E)-2-aminopropylideneamino]-1-methylthiourea has a molecular weight of 160.25 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-aminopropylideneamino]-1-methylthiourea is sourced from PubChem (CID 142935969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).