5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C16H23ClN4S — CID 120897770

IUPAC5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cnc(N)s1)Cc1ccccc1N1CCCC1.Cl
InChIInChI=1S/C16H22N4S.ClH/c1-19(12-14-10-18-16(17)21-14)11-13-6-2-3-7-15(13)20-8-4-5-9-20;/h2-3,6-7,10H,4-5,8-9,11-12H2,1H3,(H2,17,18);1H
InChIKeyFFAKPPJBJHONHI-UHFFFAOYSA-N
MW338.91 g/mol
LogP3.38
Rot. Bonds5

About 5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120897770) has the molecular formula C16H23ClN4S and a molecular weight of 338.91 g/mol. Its IUPAC name is 5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120897770
Molecular FormulaC16H23ClN4S
Molecular Weight338.91 g/mol
Exact Mass338.13
IUPAC Name5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1cnc(N)s1)Cc1ccccc1N1CCCC1.Cl
InChIInChI=1S/C16H22N4S.ClH/c1-19(12-14-10-18-16(17)21-14)11-13-6-2-3-7-15(13)20-8-4-5-9-20;/h2-3,6-7,10H,4-5,8-9,11-12H2,1H3,(H2,17,18);1H
InChIKeyFFAKPPJBJHONHI-UHFFFAOYSA-N
XLogP3.38
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.91
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120897770) is 5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(Cc1cnc(N)s1)Cc1ccccc1N1CCCC1.Cl.
What is the InChIKey of 5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is FFAKPPJBJHONHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S.ClH/c1-19(12-14-10-18-16(17)21-14)11-13-6-2-3-7-15(13)20-8-4-5-9-20;/h2-3,6-7,10H,4-5,8-9,11-12H2,1H3,(H2,17,18);1H.
What are the key properties of 5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 338.91 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120897770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).