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

C12H21N3S — CID 115088010

IUPACN-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCNC(C)Cc1csc(CC2CCNC2)n1
InChIInChI=1S/C12H21N3S/c1-9(13-2)5-11-8-16-12(15-11)6-10-3-4-14-7-10/h8-10,13-14H,3-7H2,1-2H3
InChIKeyWIVCREHEVKBWHM-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.45
Rot. Bonds5

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

N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 115088010) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID115088010
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCNC(C)Cc1csc(CC2CCNC2)n1
InChIInChI=1S/C12H21N3S/c1-9(13-2)5-11-8-16-12(15-11)6-10-3-4-14-7-10/h8-10,13-14H,3-7H2,1-2H3
InChIKeyWIVCREHEVKBWHM-UHFFFAOYSA-N
XLogP1.45
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.45
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]methanamine
CID 115087985
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115087995
N-methyl-3-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088028
4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105464499
N-methyl-1-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)propan-2-amine
CID 115087748
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115089019
2-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115087963
1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine
CID 115088841
4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 84792291
1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol
CID 115088902
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088128
4-(oxan-4-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116828990

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine (CID 115088010) is N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine is CNC(C)Cc1csc(CC2CCNC2)n1.
What is the InChIKey of N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is WIVCREHEVKBWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(13-2)5-11-8-16-12(15-11)6-10-3-4-14-7-10/h8-10,13-14H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine?
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 1.45, 5 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-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 115088010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).