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

C12H23N3S — CID 82430873

IUPAC5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C)sc1CNC(C)CC
InChIInChI=1S/C12H23N3S/c1-6-9(3)13-8-11-10(7-2)14-12(16-11)15(4)5/h9,13H,6-8H2,1-5H3
InChIKeyAXOKAPBVKQYEJP-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.66
Rot. Bonds6

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

5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 82430873) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID82430873
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C)sc1CNC(C)CC
InChIInChI=1S/C12H23N3S/c1-6-9(3)13-8-11-10(7-2)14-12(16-11)15(4)5/h9,13H,6-8H2,1-5H3
InChIKeyAXOKAPBVKQYEJP-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82428480
5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765856
N-butan-2-yl-N,4-diethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768303
N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 115600536
4-ethyl-5-[(2-methoxyethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765858
N-(cyclopropylmethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55117701
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 62765369
N-(1-cyclopropylethyl)-4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768154
N-butan-2-yl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62768131
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768706
4-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 79311640
2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945684

Frequently Asked Questions

What is the IUPAC name of 5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine (CID 82430873) is 5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine is CCc1nc(N(C)C)sc1CNC(C)CC.
What is the InChIKey of 5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is AXOKAPBVKQYEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-6-9(3)13-8-11-10(7-2)14-12(16-11)15(4)5/h9,13H,6-8H2,1-5H3.
What are the key properties of 5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine?
5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82430873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).