N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride

C12H16ClN3S — CID 115592208

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride
SMILESCCc1nc(CNc2ccc(C)cn2)cs1.Cl
InChIInChI=1S/C12H15N3S.ClH/c1-3-12-15-10(8-16-12)7-14-11-5-4-9(2)6-13-11;/h4-6,8H,3,7H2,1-2H3,(H,13,14);1H
InChIKeyVAZQNFIQPCGCBG-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.44
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride (PubChem CID 115592208) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride
PubChem CID115592208
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride
SMILESCCc1nc(CNc2ccc(C)cn2)cs1.Cl
InChIInChI=1S/C12H15N3S.ClH/c1-3-12-15-10(8-16-12)7-14-11-5-4-9(2)6-13-11;/h4-6,8H,3,7H2,1-2H3,(H,13,14);1H
InChIKeyVAZQNFIQPCGCBG-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride (CID 115592208) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride is CCc1nc(CNc2ccc(C)cn2)cs1.Cl.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride?
The InChIKey is VAZQNFIQPCGCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S.ClH/c1-3-12-15-10(8-16-12)7-14-11-5-4-9(2)6-13-11;/h4-6,8H,3,7H2,1-2H3,(H,13,14);1H.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-5-methylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 115592208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).