5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

C13H25N3OS — CID 64569644

IUPAC5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCC(C)C(C)C
InChIInChI=1S/C13H25N3OS/c1-9(2)10(3)7-14-8-11-12(17-6)15-13(18-11)16(4)5/h9-10,14H,7-8H2,1-6H3
InChIKeyQTWBLGYSBDWVMT-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.60
Rot. Bonds7

About 5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine

5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 64569644) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID64569644
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNCC(C)C(C)C
InChIInChI=1S/C13H25N3OS/c1-9(2)10(3)7-14-8-11-12(17-6)15-13(18-11)16(4)5/h9-10,14H,7-8H2,1-6H3
InChIKeyQTWBLGYSBDWVMT-UHFFFAOYSA-N
XLogP2.60
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine (CID 64569644) is 5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNCC(C)C(C)C.
What is the InChIKey of 5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is QTWBLGYSBDWVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-9(2)10(3)7-14-8-11-12(17-6)15-13(18-11)16(4)5/h9-10,14H,7-8H2,1-6H3.
What are the key properties of 5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine?
5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 271.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 64569644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).