[2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol

C16H22N2O2S — CID 79396852

IUPAC[2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCOc1ccccc1CN(C)c1nc(C(C)C)c(CO)s1
InChIInChI=1S/C16H22N2O2S/c1-11(2)15-14(10-19)21-16(17-15)18(3)9-12-7-5-6-8-13(12)20-4/h5-8,11,19H,9-10H2,1-4H3
InChIKeySSLOHSFJHCEETM-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.40
Rot. Bonds6

About [2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol

[2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79396852) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79396852
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name[2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCOc1ccccc1CN(C)c1nc(C(C)C)c(CO)s1
InChIInChI=1S/C16H22N2O2S/c1-11(2)15-14(10-19)21-16(17-15)18(3)9-12-7-5-6-8-13(12)20-4/h5-8,11,19H,9-10H2,1-4H3
InChIKeySSLOHSFJHCEETM-UHFFFAOYSA-N
XLogP3.40
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79396852) is [2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is COc1ccccc1CN(C)c1nc(C(C)C)c(CO)s1.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is SSLOHSFJHCEETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(2)15-14(10-19)21-16(17-15)18(3)9-12-7-5-6-8-13(12)20-4/h5-8,11,19H,9-10H2,1-4H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 306.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79396852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).