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

C15H25N5S — CID 63026393

IUPAC5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2nccn2C)sc1CNC(C)(C)C
InChIInChI=1S/C15H25N5S/c1-11-12(9-17-15(2,3)4)21-14(18-11)20(6)10-13-16-7-8-19(13)5/h7-8,17H,9-10H2,1-6H3
InChIKeyLCGVVTXPMHHCEW-UHFFFAOYSA-N
MW307.47 g/mol
LogP2.71
Rot. Bonds5

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

5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 63026393) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID63026393
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2nccn2C)sc1CNC(C)(C)C
InChIInChI=1S/C15H25N5S/c1-11-12(9-17-15(2,3)4)21-14(18-11)20(6)10-13-16-7-8-19(13)5/h7-8,17H,9-10H2,1-6H3
InChIKeyLCGVVTXPMHHCEW-UHFFFAOYSA-N
XLogP2.71
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 63026391
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63025897
5-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393591
4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 63915656
4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63026010
6-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63024642
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63025857
N-tert-butyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528242
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768405

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 63026393) is 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine is Cc1nc(N(C)Cc2nccn2C)sc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is LCGVVTXPMHHCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-11-12(9-17-15(2,3)4)21-14(18-11)20(6)10-13-16-7-8-19(13)5/h7-8,17H,9-10H2,1-6H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 307.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63026393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).