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

C17H31N3S — CID 62767757

IUPAC4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCC(C)CCN(C)c1nc(C(C)(C)C)c(CNC2CC2)s1
InChIInChI=1S/C17H31N3S/c1-12(2)9-10-20(6)16-19-15(17(3,4)5)14(21-16)11-18-13-7-8-13/h12-13,18H,7-11H2,1-6H3
InChIKeyZGSFCXFQXMSNLN-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.17
Rot. Bonds7

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

4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 62767757) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
PubChem CID62767757
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCC(C)CCN(C)c1nc(C(C)(C)C)c(CNC2CC2)s1
InChIInChI=1S/C17H31N3S/c1-12(2)9-10-20(6)16-19-15(17(3,4)5)14(21-16)11-18-13-7-8-13/h12-13,18H,7-11H2,1-6H3
InChIKeyZGSFCXFQXMSNLN-UHFFFAOYSA-N
XLogP4.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 115987940
N-butyl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62765870
5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 107510227
N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 62767959
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-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82439344
N'-[5-[(cyclopropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79381983
5-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392868
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067668
4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62764685
4-tert-butyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765477
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine (CID 62767757) is 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine is CC(C)CCN(C)c1nc(C(C)(C)C)c(CNC2CC2)s1.
What is the InChIKey of 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is ZGSFCXFQXMSNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-12(2)9-10-20(6)16-19-15(17(3,4)5)14(21-16)11-18-13-7-8-13/h12-13,18H,7-11H2,1-6H3.
What are the key properties of 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62767757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).