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

C9H15N3S — CID 141205533

IUPAC5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine
SMILESC=C(C)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C9H15N3S/c1-6(2)10-8-12-11-7(13-8)9(3,4)5/h1H2,2-5H3,(H,10,12)
InChIKeyIHXGZJOJZAQFNS-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.78
Rot. Bonds2

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

5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 141205533) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID141205533
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine
SMILESC=C(C)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C9H15N3S/c1-6(2)10-8-12-11-7(13-8)9(3,4)5/h1H2,2-5H3,(H,10,12)
InChIKeyIHXGZJOJZAQFNS-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine (CID 141205533) is 5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine is C=C(C)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is IHXGZJOJZAQFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(2)10-8-12-11-7(13-8)9(3,4)5/h1H2,2-5H3,(H,10,12).
What are the key properties of 5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine?
5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-prop-1-en-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 141205533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).