N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride

C17H25ClN4S — CID 120845039

IUPACN-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
SMILESCc1ccncc1CN(Cc1scnc1C)CC1CCNC1.Cl
InChIInChI=1S/C17H24N4S.ClH/c1-13-3-5-19-8-16(13)10-21(9-15-4-6-18-7-15)11-17-14(2)20-12-22-17;/h3,5,8,12,15,18H,4,6-7,9-11H2,1-2H3;1H
InChIKeyQAISEAKWJQQHRJ-UHFFFAOYSA-N
MW352.94 g/mol
LogP3.19
Rot. Bonds6

About N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride

N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride (PubChem CID 120845039) has the molecular formula C17H25ClN4S and a molecular weight of 352.94 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
PubChem CID120845039
Molecular FormulaC17H25ClN4S
Molecular Weight352.94 g/mol
Exact Mass352.15
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
SMILESCc1ccncc1CN(Cc1scnc1C)CC1CCNC1.Cl
InChIInChI=1S/C17H24N4S.ClH/c1-13-3-5-19-8-16(13)10-21(9-15-4-6-18-7-15)11-17-14(2)20-12-22-17;/h3,5,8,12,15,18H,4,6-7,9-11H2,1-2H3;1H
InChIKeyQAISEAKWJQQHRJ-UHFFFAOYSA-N
XLogP3.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.94
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorothiophen-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 120845031
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(1H-pyrazol-5-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 129008081
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129324317
N-(1-benzofuran-3-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129340176
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129466373
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129340135
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 128970204
N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120845025
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 128999065
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129339515
N-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 106623637

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride (CID 120845039) is N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride is Cc1ccncc1CN(Cc1scnc1C)CC1CCNC1.Cl.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride?
The InChIKey is QAISEAKWJQQHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S.ClH/c1-13-3-5-19-8-16(13)10-21(9-15-4-6-18-7-15)11-17-14(2)20-12-22-17;/h3,5,8,12,15,18H,4,6-7,9-11H2,1-2H3;1H.
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride?
N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride has a molecular weight of 352.94 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 120845039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).