1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol

C14H22N2OS — CID 64544614

IUPAC1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(N(C)CC2CC3CCC2C3)n1
InChIInChI=1S/C14H22N2OS/c1-9(17)13-8-18-14(15-13)16(2)7-12-6-10-3-4-11(12)5-10/h8-12,17H,3-7H2,1-2H3
InChIKeyGXWHEPQSGMFRLB-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.07
Rot. Bonds4

About 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol

1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol (PubChem CID 64544614) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol
PubChem CID64544614
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(N(C)CC2CC3CCC2C3)n1
InChIInChI=1S/C14H22N2OS/c1-9(17)13-8-18-14(15-13)16(2)7-12-6-10-3-4-11(12)5-10/h8-12,17H,3-7H2,1-2H3
InChIKeyGXWHEPQSGMFRLB-UHFFFAOYSA-N
XLogP3.07
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol
CID 63685736
ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574960
1-[2-[ethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544599
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 64545243
1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64542378
5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 63683769
1-[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66384871
(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63682288
[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 63686849
1-[2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 81068705
[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyrazin-2-yl]methanol
CID 107372861
N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63684827

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol (CID 64544614) is 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(N(C)CC2CC3CCC2C3)n1.
What is the InChIKey of 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol?
The InChIKey is GXWHEPQSGMFRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9(17)13-8-18-14(15-13)16(2)7-12-6-10-3-4-11(12)5-10/h8-12,17H,3-7H2,1-2H3.
What are the key properties of 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol?
1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol has a molecular weight of 266.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 64544614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).