N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide

C14H17N3OS — CID 82103470

IUPACN-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCNCCc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C14H17N3OS/c1-10(18)16-12-5-3-11(4-6-12)13-9-19-14(17-13)7-8-15-2/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)
InChIKeyHMTYNQZEZYVDSA-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.53
Rot. Bonds5

About N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 82103470) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID82103470
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCNCCc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C14H17N3OS/c1-10(18)16-12-5-3-11(4-6-12)13-9-19-14(17-13)7-8-15-2/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)
InChIKeyHMTYNQZEZYVDSA-UHFFFAOYSA-N
XLogP2.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]ethyl]-4-fluorobenzamide
CID 110351853
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-[4-[2-[(dimethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351824
N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120558492
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
N-[4-[2-[(phenylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351811
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
CID 110351814
N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351825
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide
CID 110351792
N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine
CID 4262299

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide (CID 82103470) is N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide is CNCCc1nc(-c2ccc(NC(C)=O)cc2)cs1.
What is the InChIKey of N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is HMTYNQZEZYVDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(18)16-12-5-3-11(4-6-12)13-9-19-14(17-13)7-8-15-2/h3-6,9,15H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 82103470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).