4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine

C12H22N4S — CID 79313837

IUPAC4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN1CCCC1CN(C)Cc1csc(N)n1
InChIInChI=1S/C12H22N4S/c1-3-16-6-4-5-11(16)8-15(2)7-10-9-17-12(13)14-10/h9,11H,3-8H2,1-2H3,(H2,13,14)
InChIKeyRTVFUPRBVIOHOL-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.64
Rot. Bonds5

About 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine

4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 79313837) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID79313837
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN1CCCC1CN(C)Cc1csc(N)n1
InChIInChI=1S/C12H22N4S/c1-3-16-6-4-5-11(16)8-15(2)7-10-9-17-12(13)14-10/h9,11H,3-8H2,1-2H3,(H2,13,14)
InChIKeyRTVFUPRBVIOHOL-UHFFFAOYSA-N
XLogP1.64
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 79313368
4-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1,3-thiazol-2-amine
CID 65484662
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-fluoroaniline
CID 112646219
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]methanamine
CID 106906839
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79312532
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79313468
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303973
[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 126981102
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 79303073
3-[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 79315064

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine (CID 79313837) is 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine is CCN1CCCC1CN(C)Cc1csc(N)n1.
What is the InChIKey of 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is RTVFUPRBVIOHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-3-16-6-4-5-11(16)8-15(2)7-10-9-17-12(13)14-10/h9,11H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine?
4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79313837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).