4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine

C15H27N3S2 — CID 115987940

IUPAC4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
SMILESCSCCN(C)c1nc(C(C)(C)C)c(CNC2CC2)s1
InChIInChI=1S/C15H27N3S2/c1-15(2,3)13-12(10-16-11-6-7-11)20-14(17-13)18(4)8-9-19-5/h11,16H,6-10H2,1-5H3
InChIKeyBBYMDBCKLDGZKK-UHFFFAOYSA-N
MW313.54 g/mol
LogP3.49
Rot. Bonds7

About 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine

4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine (PubChem CID 115987940) has the molecular formula C15H27N3S2 and a molecular weight of 313.54 g/mol. Its IUPAC name is 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
PubChem CID115987940
Molecular FormulaC15H27N3S2
Molecular Weight313.54 g/mol
Exact Mass313.16
IUPAC Name4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
SMILESCSCCN(C)c1nc(C(C)(C)C)c(CNC2CC2)s1
InChIInChI=1S/C15H27N3S2/c1-15(2,3)13-12(10-16-11-6-7-11)20-14(17-13)18(4)8-9-19-5/h11,16H,6-10H2,1-5H3
InChIKeyBBYMDBCKLDGZKK-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-butyl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62765870
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767757
N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 62767959
N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82439344
4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62764685
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489
5-[(cyclopropylamino)methyl]-N-methyl-4-propan-2-yl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79383339
N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363304
N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55113145
N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363196
4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117474
N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79381983

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine (CID 115987940) is 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine is CSCCN(C)c1nc(C(C)(C)C)c(CNC2CC2)s1.
What is the InChIKey of 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine?
The InChIKey is BBYMDBCKLDGZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S2/c1-15(2,3)13-12(10-16-11-6-7-11)20-14(17-13)18(4)8-9-19-5/h11,16H,6-10H2,1-5H3.
What are the key properties of 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine?
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine has a molecular weight of 313.54 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115987940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).