5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane

C9H19N3S — CID 142857299

IUPAC5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane
SMILESCCC.Cc1nnc(NC(C)C)s1
InChIInChI=1S/C6H11N3S.C3H8/c1-4(2)7-6-9-8-5(3)10-6;1-3-2/h4H,1-3H3,(H,7,9);3H2,1-2H3
InChIKeyMVRPZFFYNPUGQA-UHFFFAOYSA-N
MW201.34 g/mol
LogP3.08
Rot. Bonds2

About 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane

5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane (PubChem CID 142857299) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane
PubChem CID142857299
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane
SMILESCCC.Cc1nnc(NC(C)C)s1
InChIInChI=1S/C6H11N3S.C3H8/c1-4(2)7-6-9-8-5(3)10-6;1-3-2/h4H,1-3H3,(H,7,9);3H2,1-2H3
InChIKeyMVRPZFFYNPUGQA-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-N-(propan-2-yl)-1,3,4-thiadiazol-2-amine
CID 544670
N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 71850467
N-(5-Methyl-1,3,4-thiadiazol-2-YL)-N-neopentylamine
CID 2798093
N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 676548
N-cyclopentyl-5-propyl-1,3,4-thiadiazol-2-amine
CID 2305533
N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 82105764
1,3,4-Thiadiazol-2-amine, N-tert-butyl-5-methyl-
CID 575393
5-Sulfanylmethyl(ethyl)-1,3,4-thiadiazol-2-amine
CID 166001509
5-methyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 65209670
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785
N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606894
5-methyl-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
CID 103580488

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane?
The IUPAC name of 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane (CID 142857299) is 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane.
What is the SMILES notation for 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane?
The canonical SMILES for 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane is CCC.Cc1nnc(NC(C)C)s1.
What is the InChIKey of 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane?
The InChIKey is MVRPZFFYNPUGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S.C3H8/c1-4(2)7-6-9-8-5(3)10-6;1-3-2/h4H,1-3H3,(H,7,9);3H2,1-2H3.
What are the key properties of 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane?
5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane has a molecular weight of 201.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane is sourced from PubChem (CID 142857299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).