N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride

C9H16ClN3S — CID 71641479

IUPACN-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride
SMILESCN(c1nccs1)C1CCNCC1.Cl
InChIInChI=1S/C9H15N3S.ClH/c1-12(9-11-6-7-13-9)8-2-4-10-5-3-8;/h6-8,10H,2-5H2,1H3;1H
InChIKeyNANVUZNWOHZBNC-UHFFFAOYSA-N
MW233.77 g/mol
LogP1.75
Rot. Bonds2

About N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride

N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 71641479) has the molecular formula C9H16ClN3S and a molecular weight of 233.77 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride
PubChem CID71641479
Molecular FormulaC9H16ClN3S
Molecular Weight233.77 g/mol
Exact Mass233.08
IUPAC NameN-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride
SMILESCN(c1nccs1)C1CCNCC1.Cl
InChIInChI=1S/C9H15N3S.ClH/c1-12(9-11-6-7-13-9)8-2-4-10-5-3-8;/h6-8,10H,2-5H2,1H3;1H
InChIKeyNANVUZNWOHZBNC-UHFFFAOYSA-N
XLogP1.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.77
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride (CID 71641479) is N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride is CN(c1nccs1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is NANVUZNWOHZBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S.ClH/c1-12(9-11-6-7-13-9)8-2-4-10-5-3-8;/h6-8,10H,2-5H2,1H3;1H.
What are the key properties of N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride?
N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 233.77 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 71641479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).