[4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine

C15H27N3S — CID 63627381

IUPAC[4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC1CCCN(c2nc(C(C)(C)C)c(CN)s2)CC1
InChIInChI=1S/C15H27N3S/c1-11-6-5-8-18(9-7-11)14-17-13(15(2,3)4)12(10-16)19-14/h11H,5-10,16H2,1-4H3
InChIKeyBILJFHIINWJKHW-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.53
Rot. Bonds2

About [4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 63627381) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is [4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID63627381
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name[4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC1CCCN(c2nc(C(C)(C)C)c(CN)s2)CC1
InChIInChI=1S/C15H27N3S/c1-11-6-5-8-18(9-7-11)14-17-13(15(2,3)4)12(10-16)19-14/h11H,5-10,16H2,1-4H3
InChIKeyBILJFHIINWJKHW-UHFFFAOYSA-N
XLogP3.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55117839
[4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62767415
[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 107510397
[4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55117512
[4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63161163
[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62764111
N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764654
[4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778656
[2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 62765321
[4-tert-butyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 114597323
2-[2-(azepan-1-yl)-4-tert-butyl-1,3-thiazol-5-yl]acetonitrile
CID 82439768
N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79393593

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine (CID 63627381) is [4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine is CC1CCCN(c2nc(C(C)(C)C)c(CN)s2)CC1.
What is the InChIKey of [4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BILJFHIINWJKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11-6-5-8-18(9-7-11)14-17-13(15(2,3)4)12(10-16)19-14/h11H,5-10,16H2,1-4H3.
What are the key properties of [4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 281.47 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63627381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).