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

C16H18N4O2S — CID 72861471

IUPAC[2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol
SMILESCOc1cccc(-n2cc(CN(C)c3nc(CO)cs3)cn2)c1
InChIInChI=1S/C16H18N4O2S/c1-19(16-18-13(10-21)11-23-16)8-12-7-17-20(9-12)14-4-3-5-15(6-14)22-2/h3-7,9,11,21H,8,10H2,1-2H3
InChIKeyOLUIRDDDYVHZJW-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.47
Rot. Bonds6

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

[2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol (PubChem CID 72861471) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is [2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol
PubChem CID72861471
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name[2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol
SMILESCOc1cccc(-n2cc(CN(C)c3nc(CO)cs3)cn2)c1
InChIInChI=1S/C16H18N4O2S/c1-19(16-18-13(10-21)11-23-16)8-12-7-17-20(9-12)14-4-3-5-15(6-14)22-2/h3-7,9,11,21H,8,10H2,1-2H3
InChIKeyOLUIRDDDYVHZJW-UHFFFAOYSA-N
XLogP2.47
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
CID 70732597
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylindolizine-3-carboxamide
CID 162630973
3-[2-[(3-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487225
(2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 124757474
1-(1H-indol-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
CID 56883576
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 167466276
(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 154897157
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N,2,3-trimethylimidazo[4,5-b]pyridine-7-carboxamide
CID 157014594
(3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide
CID 95894294
1-(4,5-dimethylfuran-2-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylmethanamine
CID 56897462
4-[(dimethylamino)methyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 167465546
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol (CID 72861471) is [2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol is COc1cccc(-n2cc(CN(C)c3nc(CO)cs3)cn2)c1.
What is the InChIKey of [2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol?
The InChIKey is OLUIRDDDYVHZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-19(16-18-13(10-21)11-23-16)8-12-7-17-20(9-12)14-4-3-5-15(6-14)22-2/h3-7,9,11,21H,8,10H2,1-2H3.
What are the key properties of [2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol?
[2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol has a molecular weight of 330.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 72861471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).