[2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol

C16H22N2OS — CID 62779815

IUPAC[2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC)Cc2ccccc2)sc1CO
InChIInChI=1S/C16H22N2OS/c1-3-8-14-15(12-19)20-16(17-14)18(4-2)11-13-9-6-5-7-10-13/h5-7,9-10,19H,3-4,8,11-12H2,1-2H3
InChIKeyAKBMYSNXGVJUCS-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.61
Rot. Bonds7

About [2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol

[2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 62779815) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID62779815
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC)Cc2ccccc2)sc1CO
InChIInChI=1S/C16H22N2OS/c1-3-8-14-15(12-19)20-16(17-14)18(4-2)11-13-9-6-5-7-10-13/h5-7,9-10,19H,3-4,8,11-12H2,1-2H3
InChIKeyAKBMYSNXGVJUCS-UHFFFAOYSA-N
XLogP3.61
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62778496
[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 62780142
[2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 102998072
[4-chloro-2-(dibenzylamino)-1,3-thiazol-5-yl]methanol
CID 130162599
[2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62778308
[2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780694
[2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780691
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 55113031
5-(aminomethyl)-N-ethyl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62768644
5-(aminomethyl)-N-benzyl-N-ethyl-1,3,4-thiadiazol-2-amine
CID 96663376
[4-ethyl-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 62780324

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (CID 62779815) is [2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N(CC)Cc2ccccc2)sc1CO.
What is the InChIKey of [2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is AKBMYSNXGVJUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-8-14-15(12-19)20-16(17-14)18(4-2)11-13-9-6-5-7-10-13/h5-7,9-10,19H,3-4,8,11-12H2,1-2H3.
What are the key properties of [2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 290.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62779815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).