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

C15H26N2S — CID 116539038

IUPAC3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C15H26N2S/c1-14(2,3)12-10-18-13(17-12)9-15(4)7-6-11(8-15)16-5/h10-11,16H,6-9H2,1-5H3
InChIKeyURFUYRWDWDGJPA-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.76
Rot. Bonds3

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

3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine (PubChem CID 116539038) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
PubChem CID116539038
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
SMILESCNC1CCC(C)(Cc2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C15H26N2S/c1-14(2,3)12-10-18-13(17-12)9-15(4)7-6-11(8-15)16-5/h10-11,16H,6-9H2,1-5H3
InChIKeyURFUYRWDWDGJPA-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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]-N-methylpiperidin-4-amine
CID 119923466
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 79820557
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 79820634
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79827472
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999371
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 79819712
3-benzyl-N,3-dimethylcyclopentan-1-amine
CID 116538980
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]-5,5-dimethylcyclohex-2-en-1-amine
CID 79817749
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
CID 79816991
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83149488

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine (CID 116539038) is 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine is CNC1CCC(C)(Cc2nc(C(C)(C)C)cs2)C1.
What is the InChIKey of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine?
The InChIKey is URFUYRWDWDGJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-14(2,3)12-10-18-13(17-12)9-15(4)7-6-11(8-15)16-5/h10-11,16H,6-9H2,1-5H3.
What are the key properties of 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine?
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 116539038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).