3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol

C13H22N2OS — CID 80562975

IUPAC3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol
SMILESCC(C)(C)c1csc(CC2(O)CCC(N)C2)n1
InChIInChI=1S/C13H22N2OS/c1-12(2,3)10-8-17-11(15-10)7-13(16)5-4-9(14)6-13/h8-9,16H,4-7,14H2,1-3H3
InChIKeyQXNMWSLYVKQXGU-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.23
Rot. Bonds2

About 3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol

3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol (PubChem CID 80562975) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol
PubChem CID80562975
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol
SMILESCC(C)(C)c1csc(CC2(O)CCC(N)C2)n1
InChIInChI=1S/C13H22N2OS/c1-12(2,3)10-8-17-11(15-10)7-13(16)5-4-9(14)6-13/h8-9,16H,4-7,14H2,1-3H3
InChIKeyQXNMWSLYVKQXGU-UHFFFAOYSA-N
XLogP2.23
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-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-bicyclo[1.1.0]butanyl-[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 167787528
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolidin-3-ol
CID 79820547
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]-2,3-dimethylcyclohexan-1-amine
CID 79819712
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539038
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-propylazepan-4-ol
CID 79827475
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
CID 83196388
1-[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-3-(3-but-3-ynyldiazirin-3-yl)propan-1-one
CID 166409569
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107190144

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol (CID 80562975) is 3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol is CC(C)(C)c1csc(CC2(O)CCC(N)C2)n1.
What is the InChIKey of 3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol?
The InChIKey is QXNMWSLYVKQXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-12(2,3)10-8-17-11(15-10)7-13(16)5-4-9(14)6-13/h8-9,16H,4-7,14H2,1-3H3.
What are the key properties of 3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol?
3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol has a molecular weight of 254.40 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 80562975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).