N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C12H20N4OS — CID 81490722

IUPACN-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCNCC1CCCN1Cc1csc(NC(C)=O)n1
InChIInChI=1S/C12H20N4OS/c1-9(17)14-12-15-10(8-18-12)7-16-5-3-4-11(16)6-13-2/h8,11,13H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyBHIQROADZXDBJB-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.29
Rot. Bonds5

About N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 81490722) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID81490722
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCNCC1CCCN1Cc1csc(NC(C)=O)n1
InChIInChI=1S/C12H20N4OS/c1-9(17)14-12-15-10(8-18-12)7-16-5-3-4-11(16)6-13-2/h8,11,13H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyBHIQROADZXDBJB-UHFFFAOYSA-N
XLogP1.29
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 63250166
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 51226338
N-[4-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95609755
1-[(2-acetamido-1,3-thiazol-4-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784130
1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride
CID 119928300
N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120842796
N-[4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 80552624
N-[4-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 60979385
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
N-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469833
N-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 120775766

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 81490722) is N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CNCC1CCCN1Cc1csc(NC(C)=O)n1.
What is the InChIKey of N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BHIQROADZXDBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9(17)14-12-15-10(8-18-12)7-16-5-3-4-11(16)6-13-2/h8,11,13H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 268.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 81490722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).