4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride

C6H11ClN2S — CID 54595498

IUPAC4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)c1csc(N)n1.Cl
InChIInChI=1S/C6H10N2S.ClH/c1-4(2)5-3-9-6(7)8-5;/h3-4H,1-2H3,(H2,7,8);1H
InChIKeyZRCKYWQLPAPDNN-UHFFFAOYSA-N
MW178.69 g/mol
LogP2.27
Rot. Bonds1

About 4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride

4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 54595498) has the molecular formula C6H11ClN2S and a molecular weight of 178.69 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride
PubChem CID54595498
Molecular FormulaC6H11ClN2S
Molecular Weight178.69 g/mol
Exact Mass178.03
IUPAC Name4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)c1csc(N)n1.Cl
InChIInChI=1S/C6H10N2S.ClH/c1-4(2)5-3-9-6(7)8-5;/h3-4H,1-2H3,(H2,7,8);1H
InChIKeyZRCKYWQLPAPDNN-UHFFFAOYSA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.69
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride (CID 54595498) is 4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride is CC(C)c1csc(N)n1.Cl.
What is the InChIKey of 4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is ZRCKYWQLPAPDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.ClH/c1-4(2)5-3-9-6(7)8-5;/h3-4H,1-2H3,(H2,7,8);1H.
What are the key properties of 4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride?
4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 178.69 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 54595498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).