[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol

C16H26N2OS — CID 63686849

IUPAC[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(C)CC2CC3CCC2C3)sc1CO
InChIInChI=1S/C16H26N2OS/c1-3-4-14-15(10-19)20-16(17-14)18(2)9-13-8-11-5-6-12(13)7-11/h11-13,19H,3-10H2,1-2H3
InChIKeyZNMXAOKYDLARPB-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.46
Rot. Bonds6

About [2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol

[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 63686849) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is [2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID63686849
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(C)CC2CC3CCC2C3)sc1CO
InChIInChI=1S/C16H26N2OS/c1-3-4-14-15(10-19)20-16(17-14)18(2)9-13-8-11-5-6-12(13)7-11/h11-13,19H,3-10H2,1-2H3
InChIKeyZNMXAOKYDLARPB-UHFFFAOYSA-N
XLogP3.46
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol with MolForge

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Related Compounds

5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510406
N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63684827
5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 63683769
[2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780691
[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyrazin-2-yl]methanol
CID 107372861
[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117430
1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544614
1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol
CID 63685736
[2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62778308
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117241
ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574960
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107380276

Frequently Asked Questions

What is the IUPAC name of [2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (CID 63686849) is [2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N(C)CC2CC3CCC2C3)sc1CO.
What is the InChIKey of [2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is ZNMXAOKYDLARPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-3-4-14-15(10-19)20-16(17-14)18(2)9-13-8-11-5-6-12(13)7-11/h11-13,19H,3-10H2,1-2H3.
What are the key properties of [2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 294.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63686849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).