N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine

C11H19N3S — CID 115087748

IUPACN-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine
SMILESCNC(C)Cc1csc(C2CCNC2)n1
InChIInChI=1S/C11H19N3S/c1-8(12-2)5-10-7-15-11(14-10)9-3-4-13-6-9/h7-9,12-13H,3-6H2,1-2H3
InChIKeyQNVLYFWVRQGCGC-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.37
Rot. Bonds4

About N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine

N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 115087748) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID115087748
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine
SMILESCNC(C)Cc1csc(C2CCNC2)n1
InChIInChI=1S/C11H19N3S/c1-8(12-2)5-10-7-15-11(14-10)9-3-4-13-6-9/h7-9,12-13H,3-6H2,1-2H3
InChIKeyQNVLYFWVRQGCGC-UHFFFAOYSA-N
XLogP1.37
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088010
2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 115087742
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
CID 82670559
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
2-cyclobutyl-4-(2-methylpropyl)-1,3-thiazole
CID 130891959
2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 82659962
4-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 84783502
4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 84786149
4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965359
4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558226
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropan-1-amine
CID 116888387

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine (CID 115087748) is N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine is CNC(C)Cc1csc(C2CCNC2)n1.
What is the InChIKey of N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is QNVLYFWVRQGCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(12-2)5-10-7-15-11(14-10)9-3-4-13-6-9/h7-9,12-13H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine?
N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 115087748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).