N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride

C13H24ClN3S — CID 120842796

IUPACN-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCCCc1csc(CN2CCCC2CNC)n1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-3-5-11-10-17-13(15-11)9-16-7-4-6-12(16)8-14-2;/h10,12,14H,3-9H2,1-2H3;1H
InChIKeyUZCWTDAHEOOCHA-UHFFFAOYSA-N
MW289.88 g/mol
LogP2.70
Rot. Bonds6

About N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride

N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 120842796) has the molecular formula C13H24ClN3S and a molecular weight of 289.88 g/mol. Its IUPAC name is N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID120842796
Molecular FormulaC13H24ClN3S
Molecular Weight289.88 g/mol
Exact Mass289.14
IUPAC NameN-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCCCc1csc(CN2CCCC2CNC)n1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-3-5-11-10-17-13(15-11)9-16-7-4-6-12(16)8-14-2;/h10,12,14H,3-9H2,1-2H3;1H
InChIKeyUZCWTDAHEOOCHA-UHFFFAOYSA-N
XLogP2.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.88
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride
CID 120838062
1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine
CID 120897022
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
CID 119922529
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-one
CID 79545913
N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 81490722
2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846302
1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride
CID 119928300
N-(cyclopropylmethyl)-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120841666
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
N-methyl-1-[2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82193978
methyl 2-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62027339
N-[4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 63250166

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride (CID 120842796) is N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride is CCCc1csc(CN2CCCC2CNC)n1.Cl.
What is the InChIKey of N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is UZCWTDAHEOOCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S.ClH/c1-3-5-11-10-17-13(15-11)9-16-7-4-6-12(16)8-14-2;/h10,12,14H,3-9H2,1-2H3;1H.
What are the key properties of N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 289.88 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120842796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).