N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide

C15H19N3O2S — CID 86791470

IUPACN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide
SMILESCN(C)c1nc(CNC(=O)CCc2ccc(O)cc2)cs1
InChIInChI=1S/C15H19N3O2S/c1-18(2)15-17-12(10-21-15)9-16-14(20)8-5-11-3-6-13(19)7-4-11/h3-4,6-7,10,19H,5,8-9H2,1-2H3,(H,16,20)
InChIKeyHAOZFHWFPYSEON-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.16
Rot. Bonds6

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

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 86791470) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID86791470
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide
SMILESCN(C)c1nc(CNC(=O)CCc2ccc(O)cc2)cs1
InChIInChI=1S/C15H19N3O2S/c1-18(2)15-17-12(10-21-15)9-16-14(20)8-5-11-3-6-13(19)7-4-11/h3-4,6-7,10,19H,5,8-9H2,1-2H3,(H,16,20)
InChIKeyHAOZFHWFPYSEON-UHFFFAOYSA-N
XLogP2.16
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
1-[4-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazol-2-yl]-1-methylurea
CID 22669284
N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 11960750
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175
N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]-3-(4-methylphenyl)propanamide
CID 110357243
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025648
N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide
CID 173196459
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851
1-[(4-chlorophenyl)methyl]-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methylguanidine
CID 111964187

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide (CID 86791470) is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide is CN(C)c1nc(CNC(=O)CCc2ccc(O)cc2)cs1.
What is the InChIKey of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is HAOZFHWFPYSEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(2)15-17-12(10-21-15)9-16-14(20)8-5-11-3-6-13(19)7-4-11/h3-4,6-7,10,19H,5,8-9H2,1-2H3,(H,16,20).
What are the key properties of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide?
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.16, 6 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-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 86791470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).