(4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride

C6H12ClN3S — CID 46736568

IUPAC(4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride
SMILESCC(C)c1nnsc1CN.Cl
InChIInChI=1S/C6H11N3S.ClH/c1-4(2)6-5(3-7)10-9-8-6;/h4H,3,7H2,1-2H3;1H
InChIKeyWIJBHVRSRLAKSK-UHFFFAOYSA-N
MW193.70 g/mol
LogP1.54
Rot. Bonds2

About (4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride

(4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride (PubChem CID 46736568) has the molecular formula C6H12ClN3S and a molecular weight of 193.70 g/mol. Its IUPAC name is (4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride
PubChem CID46736568
Molecular FormulaC6H12ClN3S
Molecular Weight193.70 g/mol
Exact Mass193.04
IUPAC Name(4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride
SMILESCC(C)c1nnsc1CN.Cl
InChIInChI=1S/C6H11N3S.ClH/c1-4(2)6-5(3-7)10-9-8-6;/h4H,3,7H2,1-2H3;1H
InChIKeyWIJBHVRSRLAKSK-UHFFFAOYSA-N
XLogP1.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.70
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride (CID 46736568) is (4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride is CC(C)c1nnsc1CN.Cl.
What is the InChIKey of (4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride?
The InChIKey is WIJBHVRSRLAKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S.ClH/c1-4(2)6-5(3-7)10-9-8-6;/h4H,3,7H2,1-2H3;1H.
What are the key properties of (4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride?
(4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride has a molecular weight of 193.70 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylthiadiazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 46736568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).