5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C7H13N3S — CID 2412536

IUPAC5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC(C)C)s1
InChIInChI=1S/C7H13N3S/c1-5(2)4-8-7-10-9-6(3)11-7/h5H,4H2,1-3H3,(H,8,10)
InChIKeyKFEKCVCKKQBJIO-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.91
Rot. Bonds3

About 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 2412536) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID2412536
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC(C)C)s1
InChIInChI=1S/C7H13N3S/c1-5(2)4-8-7-10-9-6(3)11-7/h5H,4H2,1-3H3,(H,8,10)
InChIKeyKFEKCVCKKQBJIO-UHFFFAOYSA-N
XLogP1.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.91
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
5-Methyl-n-neopentyl-1,3,4-thiadiazol-2-amine
CID 2798093
N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 676548
5-ethyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 12251650
N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545013
N-butyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21545056
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-methyl-N-(4,4,4-trifluorobutyl)-1,3,4-thiadiazol-2-amine
CID 79040377
N-(2,2-difluoroethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 79098164

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 2412536) is 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC(C)C)s1.
What is the InChIKey of 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KFEKCVCKKQBJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-5(2)4-8-7-10-9-6(3)11-7/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2412536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).