N-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine

C9H15N3S — CID 59728849

IUPACN-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(C2CC2)s1
InChIInChI=1S/C9H15N3S/c1-9(2,3)10-8-12-11-7(13-8)6-4-5-6/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyKXRUYLJVBSNPJO-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.63
Rot. Bonds2

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

N-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine (PubChem CID 59728849) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine
PubChem CID59728849
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(C2CC2)s1
InChIInChI=1S/C9H15N3S/c1-9(2,3)10-8-12-11-7(13-8)6-4-5-6/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyKXRUYLJVBSNPJO-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Thiadiazol-2-amine, N-tert-butyl-5-methyl-
CID 575393
5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazol-2-amine
CID 106214902
5-cyclopropyl-N-(2-fluoroethyl)-1,3,4-thiadiazol-2-amine
CID 130658627
N-[(1-fluorocyclopropyl)methyl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 130893025
N-propan-2-yl-5-propyl-1,3,4-thiadiazol-2-amine
CID 58189983
5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 58313047
N-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 59843227
N,5-ditert-butyl-1,3,4-thiadiazol-2-amine
CID 59843275
5-cyclopropyl-N-ethyl-1,3,4-thiadiazol-2-amine
CID 65641817
5-propan-2-yl-N-propyl-1,3,4-thiadiazol-2-amine
CID 65674712
5-cyclopropyl-N-(propan-2-yl)-1,3,4-thiadiazol-2-amine
CID 82105762
5-cyclopropyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine
CID 89012737

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine (CID 59728849) is N-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine is CC(C)(C)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
The InChIKey is KXRUYLJVBSNPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-9(2,3)10-8-12-11-7(13-8)6-4-5-6/h6H,4-5H2,1-3H3,(H,10,12).
What are the key properties of N-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine?
N-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-cyclopropyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 59728849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).