N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine

C10H17N3S — CID 115090538

IUPACN-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(C2CCCN2C)s1
InChIInChI=1S/C10H17N3S/c1-11-6-8-7-12-10(14-8)9-4-3-5-13(9)2/h7,9,11H,3-6H2,1-2H3
InChIKeyMFLPGQJHQPKEPX-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.63
Rot. Bonds3

About N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine

N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 115090538) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID115090538
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1cnc(C2CCCN2C)s1
InChIInChI=1S/C10H17N3S/c1-11-6-8-7-12-10(14-8)9-4-3-5-13(9)2/h7,9,11H,3-6H2,1-2H3
InChIKeyMFLPGQJHQPKEPX-UHFFFAOYSA-N
XLogP1.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopentyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 61281926
2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090518
1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751639
N-methyl-1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 63009426
1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751244
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115091144
N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
CID 61281146
N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79973764
1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 107125538
N-methyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63168681
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55112159
N-methyl-1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090979

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine (CID 115090538) is N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine is CNCc1cnc(C2CCCN2C)s1.
What is the InChIKey of N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is MFLPGQJHQPKEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-11-6-8-7-12-10(14-8)9-4-3-5-13(9)2/h7,9,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 115090538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).