5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine

C12H23N3S — CID 62765856

IUPAC5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C)sc1CNC(C)(C)C
InChIInChI=1S/C12H23N3S/c1-7-9-10(8-13-12(2,3)4)16-11(14-9)15(5)6/h13H,7-8H2,1-6H3
InChIKeyKBOSWLPSOMBWRJ-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.66
Rot. Bonds4

About 5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 62765856) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID62765856
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C)sc1CNC(C)(C)C
InChIInChI=1S/C12H23N3S/c1-7-9-10(8-13-12(2,3)4)16-11(14-9)15(5)6/h13H,7-8H2,1-6H3
InChIKeyKBOSWLPSOMBWRJ-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 62769033
5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62766541
5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62768327
5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 63656947
5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
CID 79843946
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 104841978
N-[[2-(2,2-dimethylpropyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104841999
5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 82430873
4-ethyl-5-[(2-methoxyethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765858
5-[(tert-butylamino)methyl]-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766730
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113459711
N-[[4-ethyl-2-(2-methoxybutan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116778107

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine (CID 62765856) is 5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine is CCc1nc(N(C)C)sc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is KBOSWLPSOMBWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-7-9-10(8-13-12(2,3)4)16-11(14-9)15(5)6/h13H,7-8H2,1-6H3.
What are the key properties of 5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62765856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).