(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride

C7H14ClN3S — CID 71755750

IUPAC(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
SMILESCC(C)(C)c1nnc(CN)s1.Cl
InChIInChI=1S/C7H13N3S.ClH/c1-7(2,3)6-10-9-5(4-8)11-6;/h4,8H2,1-3H3;1H
InChIKeyHCTLIMXYBVUXKQ-UHFFFAOYSA-N
MW207.73 g/mol
LogP1.72
Rot. Bonds1

About (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride

(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride (PubChem CID 71755750) has the molecular formula C7H14ClN3S and a molecular weight of 207.73 g/mol. Its IUPAC name is (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
PubChem CID71755750
Molecular FormulaC7H14ClN3S
Molecular Weight207.73 g/mol
Exact Mass207.06
IUPAC Name(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
SMILESCC(C)(C)c1nnc(CN)s1.Cl
InChIInChI=1S/C7H13N3S.ClH/c1-7(2,3)6-10-9-5(4-8)11-6;/h4,8H2,1-3H3;1H
InChIKeyHCTLIMXYBVUXKQ-UHFFFAOYSA-N
XLogP1.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.73
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride (CID 71755750) is (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride is CC(C)(C)c1nnc(CN)s1.Cl.
What is the InChIKey of (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
The InChIKey is HCTLIMXYBVUXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S.ClH/c1-7(2,3)6-10-9-5(4-8)11-6;/h4,8H2,1-3H3;1H.
What are the key properties of (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride has a molecular weight of 207.73 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 71755750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).