N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide

C14H17N3O2S — CID 51087238

IUPACN-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCc1ncc(CN(C)CC(=O)Nc2ccc(O)cc2)s1
InChIInChI=1S/C14H17N3O2S/c1-10-15-7-13(20-10)8-17(2)9-14(19)16-11-3-5-12(18)6-4-11/h3-7,18H,8-9H2,1-2H3,(H,16,19)
InChIKeyPNFIKMZXCDVYEL-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.23
Rot. Bonds5

About N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide

N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide (PubChem CID 51087238) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
PubChem CID51087238
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCc1ncc(CN(C)CC(=O)Nc2ccc(O)cc2)s1
InChIInChI=1S/C14H17N3O2S/c1-10-15-7-13(20-10)8-17(2)9-14(19)16-11-3-5-12(18)6-4-11/h3-7,18H,8-9H2,1-2H3,(H,16,19)
InChIKeyPNFIKMZXCDVYEL-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 55838850
N-(4-ethylphenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]acetamide
CID 112842313
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55839744
N-(4-aminophenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetamide
CID 55013341
ethyl 5-chloro-2-[[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 55816359
2-[(4-hydroxyphenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide
CID 86805753
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
methyl 4-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]butanoate
CID 62045674
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 47084300
ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
CID 61372216
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 55827368
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
CID 120903166

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide (CID 51087238) is N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide is Cc1ncc(CN(C)CC(=O)Nc2ccc(O)cc2)s1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The InChIKey is PNFIKMZXCDVYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-15-7-13(20-10)8-17(2)9-14(19)16-11-3-5-12(18)6-4-11/h3-7,18H,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 51087238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).