5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine

C9H17N3S — CID 21365850

IUPAC5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C(C)C)C(C)C)s1
InChIInChI=1S/C9H17N3S/c1-6(2)12(7(3)4)9-11-10-8(5)13-9/h6-7H,1-5H3
InChIKeySIKUHWHIOOCIPY-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.47
Rot. Bonds3

About 5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine

5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 21365850) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID21365850
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C(C)C)C(C)C)s1
InChIInChI=1S/C9H17N3S/c1-6(2)12(7(3)4)9-11-10-8(5)13-9/h6-7H,1-5H3
InChIKeySIKUHWHIOOCIPY-UHFFFAOYSA-N
XLogP2.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-Cyanoethyl)(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
CID 652556
4,5-dimethyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-4-ium-2-amine
CID 20721806
N,N-diethyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 58113301
N,N-bis(2-isocyanoethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 59034804
2-Methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
CID 59034812
N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 130743882
N-iodo-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 134369257
N-ethyl-5-methyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine
CID 141953257
5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;propane
CID 142857299
N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 142857318
2-(4-Ethyl-2-methylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 166085120
N-tert-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 172486263

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine (CID 21365850) is 5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine is Cc1nnc(N(C(C)C)C(C)C)s1.
What is the InChIKey of 5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SIKUHWHIOOCIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-6(2)12(7(3)4)9-11-10-8(5)13-9/h6-7H,1-5H3.
What are the key properties of 5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine?
5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 21365850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).