N,5-ditert-butyl-1,3,4-thiadiazol-2-amine

C10H19N3S — CID 59843275

IUPACN,5-ditert-butyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C10H19N3S/c1-9(2,3)7-12-13-8(14-7)11-10(4,5)6/h1-6H3,(H,11,13)
InChIKeyHJOQQCIURJIKRF-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.05
Rot. Bonds1

About N,5-ditert-butyl-1,3,4-thiadiazol-2-amine

N,5-ditert-butyl-1,3,4-thiadiazol-2-amine (PubChem CID 59843275) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N,5-ditert-butyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,5-ditert-butyl-1,3,4-thiadiazol-2-amine
PubChem CID59843275
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN,5-ditert-butyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C10H19N3S/c1-9(2,3)7-12-13-8(14-7)11-10(4,5)6/h1-6H3,(H,11,13)
InChIKeyHJOQQCIURJIKRF-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Thiadiazol-2-amine, 5-trifluoromethyl-N-(1,1-dimethylethyl)-
CID 545453
1,3,4-Thiadiazol-2-amine, N-tert-butyl-5-methyl-
CID 575393
N-(1-chloro-2-methylpropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 4254257
5-tert-butyl-N-ethyl-1,3,4-thiadiazol-2-amine
CID 20356529
5-tert-butyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 57785329
N-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 59728849
N-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 59843227
N-tert-butyl-5-ethyl-1,3,4-thiadiazol-2-amine
CID 89228850
5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine
CID 141205533
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide;ethane;propane
CID 144318496
N-tert-butyl-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-amine
CID 171750985
N-(1-chloro-2-methylpropan-2-yl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 3759710

Frequently Asked Questions

What is the IUPAC name of N,5-ditert-butyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,5-ditert-butyl-1,3,4-thiadiazol-2-amine (CID 59843275) is N,5-ditert-butyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,5-ditert-butyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,5-ditert-butyl-1,3,4-thiadiazol-2-amine is CC(C)(C)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of N,5-ditert-butyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HJOQQCIURJIKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-9(2,3)7-12-13-8(14-7)11-10(4,5)6/h1-6H3,(H,11,13).
What are the key properties of N,5-ditert-butyl-1,3,4-thiadiazol-2-amine?
N,5-ditert-butyl-1,3,4-thiadiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-ditert-butyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 59843275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).