N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide

C14H17N3O2S — CID 154759022

IUPACN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide
SMILESCN(C)c1nc(CNC(=O)c2cccc(CO)c2)cs1
InChIInChI=1S/C14H17N3O2S/c1-17(2)14-16-12(9-20-14)7-15-13(19)11-5-3-4-10(6-11)8-18/h3-6,9,18H,7-8H2,1-2H3,(H,15,19)
InChIKeyMXWWSSGZERXYRA-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.63
Rot. Bonds5

About N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide (PubChem CID 154759022) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide
PubChem CID154759022
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide
SMILESCN(C)c1nc(CNC(=O)c2cccc(CO)c2)cs1
InChIInChI=1S/C14H17N3O2S/c1-17(2)14-16-12(9-20-14)7-15-13(19)11-5-3-4-10(6-11)8-18/h3-6,9,18H,7-8H2,1-2H3,(H,15,19)
InChIKeyMXWWSSGZERXYRA-UHFFFAOYSA-N
XLogP1.63
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
CID 108737581
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231911
3-cyano-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728060
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 70708439
3-bromo-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359502
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
2-(aminomethyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119734832
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 91765548
N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108760326

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide?
The IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide (CID 154759022) is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide.
What is the SMILES notation for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide?
The canonical SMILES for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide is CN(C)c1nc(CNC(=O)c2cccc(CO)c2)cs1.
What is the InChIKey of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide?
The InChIKey is MXWWSSGZERXYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-17(2)14-16-12(9-20-14)7-15-13(19)11-5-3-4-10(6-11)8-18/h3-6,9,18H,7-8H2,1-2H3,(H,15,19).
What are the key properties of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide?
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide has a molecular weight of 291.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide is sourced from PubChem (CID 154759022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).