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

C9H17N3S — CID 59843227

IUPACN-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NC(C)(C)C)s1
InChIInChI=1S/C9H17N3S/c1-6(2)7-11-12-8(13-7)10-9(3,4)5/h6H,1-5H3,(H,10,12)
InChIKeyUPFUAJVKDTYOHK-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.87
Rot. Bonds2

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

N-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 59843227) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID59843227
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(NC(C)(C)C)s1
InChIInChI=1S/C9H17N3S/c1-6(2)7-11-12-8(13-7)10-9(3,4)5/h6H,1-5H3,(H,10,12)
InChIKeyUPFUAJVKDTYOHK-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 59843227) is N-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is UPFUAJVKDTYOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-6(2)7-11-12-8(13-7)10-9(3,4)5/h6H,1-5H3,(H,10,12).
What are the key properties of N-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-tert-butyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.87, 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-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 59843227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).