N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C10H16ClN5S — CID 115607960

IUPACN,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(C)c1ncc(CNc2cnn(C)c2)s1.Cl
InChIInChI=1S/C10H15N5S.ClH/c1-14(2)10-12-6-9(16-10)5-11-8-4-13-15(3)7-8;/h4,6-7,11H,5H2,1-3H3;1H
InChIKeyOUXFNSILNQCJNI-UHFFFAOYSA-N
MW273.79 g/mol
LogP1.98
Rot. Bonds4

About N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 115607960) has the molecular formula C10H16ClN5S and a molecular weight of 273.79 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID115607960
Molecular FormulaC10H16ClN5S
Molecular Weight273.79 g/mol
Exact Mass273.08
IUPAC NameN,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(C)c1ncc(CNc2cnn(C)c2)s1.Cl
InChIInChI=1S/C10H15N5S.ClH/c1-14(2)10-12-6-9(16-10)5-11-8-4-13-15(3)7-8;/h4,6-7,11H,5H2,1-3H3;1H
InChIKeyOUXFNSILNQCJNI-UHFFFAOYSA-N
XLogP1.98
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 115607960) is N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(C)c1ncc(CNc2cnn(C)c2)s1.Cl.
What is the InChIKey of N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is OUXFNSILNQCJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S.ClH/c1-14(2)10-12-6-9(16-10)5-11-8-4-13-15(3)7-8;/h4,6-7,11H,5H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 273.79 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(1-methylpyrazol-4-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 115607960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).