4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine

C12H20N2S2 — CID 83196388

IUPAC4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
SMILESCC(C)(C)c1csc(CC2CSCC2N)n1
InChIInChI=1S/C12H20N2S2/c1-12(2,3)10-7-16-11(14-10)4-8-5-15-6-9(8)13/h7-9H,4-6,13H2,1-3H3
InChIKeyKHIIXDWWFOJUFR-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.67
Rot. Bonds2

About 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine

4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine (PubChem CID 83196388) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
PubChem CID83196388
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
SMILESCC(C)(C)c1csc(CC2CSCC2N)n1
InChIInChI=1S/C12H20N2S2/c1-12(2,3)10-7-16-11(14-10)4-8-5-15-6-9(8)13/h7-9H,4-6,13H2,1-3H3
InChIKeyKHIIXDWWFOJUFR-UHFFFAOYSA-N
XLogP2.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine
CID 81010240
4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole
CID 79816559
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine
CID 79817611
2-[(4-bromooxan-3-yl)methyl]-4-tert-butyl-1,3-thiazole
CID 106471592
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 114451769
3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol
CID 80562975
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917529
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 66683926
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963922
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine
CID 115882106
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]oxan-4-one
CID 106468815
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(thiolan-3-yl)ethanone
CID 105118311

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine?
The IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine (CID 83196388) is 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine.
What is the SMILES notation for 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine?
The canonical SMILES for 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine is CC(C)(C)c1csc(CC2CSCC2N)n1.
What is the InChIKey of 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine?
The InChIKey is KHIIXDWWFOJUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-12(2,3)10-7-16-11(14-10)4-8-5-15-6-9(8)13/h7-9H,4-6,13H2,1-3H3.
What are the key properties of 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine?
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine has a molecular weight of 256.44 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 83196388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).