5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine

C12H21N3S — CID 62854241

IUPAC5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC2CCC2)sc1CN
InChIInChI=1S/C12H21N3S/c1-3-10-11(7-13)16-12(14-10)15(2)8-9-5-4-6-9/h9H,3-8,13H2,1-2H3
InChIKeyOEEUQYQXKGXLOO-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.40
Rot. Bonds5

About 5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine (PubChem CID 62854241) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
PubChem CID62854241
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CC2CCC2)sc1CN
InChIInChI=1S/C12H21N3S/c1-3-10-11(7-13)16-12(14-10)15(2)8-9-5-4-6-9/h9H,3-8,13H2,1-2H3
InChIKeyOEEUQYQXKGXLOO-UHFFFAOYSA-N
XLogP2.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 63234453
5-(aminomethyl)-N-(cyclobutylmethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510290
N-(cyclobutylmethyl)-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55125918
N-(cyclopropylmethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55117701
5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 63656947
5-(aminomethyl)-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62766977
N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63655931
5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917357
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 107510374
5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 55162652
5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62768827
5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 63705683

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine (CID 62854241) is 5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine is CCc1nc(N(C)CC2CCC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine?
The InChIKey is OEEUQYQXKGXLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-10-11(7-13)16-12(14-10)15(2)8-9-5-4-6-9/h9H,3-8,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(cyclobutylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62854241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).