2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide

C8H14N4S2 — CID 65209035

IUPAC2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide
SMILESCc1nnc(N(C)CC(C)C(N)=S)s1
InChIInChI=1S/C8H14N4S2/c1-5(7(9)13)4-12(3)8-11-10-6(2)14-8/h5H,4H2,1-3H3,(H2,9,13)
InChIKeyFKVZTBDQCNITBI-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.20
Rot. Bonds4

About 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide

2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide (PubChem CID 65209035) has the molecular formula C8H14N4S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide.

Molecular Properties

Compound Name2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide
PubChem CID65209035
Molecular FormulaC8H14N4S2
Molecular Weight230.36 g/mol
Exact Mass230.07
IUPAC Name2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide
SMILESCc1nnc(N(C)CC(C)C(N)=S)s1
InChIInChI=1S/C8H14N4S2/c1-5(7(9)13)4-12(3)8-11-10-6(2)14-8/h5H,4H2,1-3H3,(H2,9,13)
InChIKeyFKVZTBDQCNITBI-UHFFFAOYSA-N
XLogP1.20
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N',2-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 106918204
N'-(2-methylpropyl)-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 113586941
3-[Ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanethioamide
CID 113586946
3-[Ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-methylpropanimidamide
CID 113586963
N'-ethyl-2-methyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 114449510
N',2-dimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 114449511
3-[Methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanethioamide
CID 114449538
3-[Ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-methylpropanethioamide
CID 114449539
2-Methyl-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanethioamide
CID 114449540
3-[Propan-2-yl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanethioamide
CID 114449541
3-[2-Methylpropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanethioamide
CID 114449542
3-[Methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butanethioamide
CID 114449546

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide?
The IUPAC name of 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide (CID 65209035) is 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide.
What is the SMILES notation for 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide?
The canonical SMILES for 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide is Cc1nnc(N(C)CC(C)C(N)=S)s1.
What is the InChIKey of 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide?
The InChIKey is FKVZTBDQCNITBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S2/c1-5(7(9)13)4-12(3)8-11-10-6(2)14-8/h5H,4H2,1-3H3,(H2,9,13).
What are the key properties of 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide?
2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide has a molecular weight of 230.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanethioamide is sourced from PubChem (CID 65209035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).