N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide

C17H22N4O2S — CID 110351825

IUPACN-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCCN(CC)C(=O)NCc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C17H22N4O2S/c1-4-21(5-2)17(23)18-10-16-20-15(11-24-16)13-6-8-14(9-7-13)19-12(3)22/h6-9,11H,4-5,10H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyDMWQMOUZBUOAMW-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.32
Rot. Bonds6

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

N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 110351825) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID110351825
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCCN(CC)C(=O)NCc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C17H22N4O2S/c1-4-21(5-2)17(23)18-10-16-20-15(11-24-16)13-6-8-14(9-7-13)19-12(3)22/h6-9,11H,4-5,10H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyDMWQMOUZBUOAMW-UHFFFAOYSA-N
XLogP3.32
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[(dimethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351824
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-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110351804
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide
CID 110351792
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methoxybenzamide
CID 110351798
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
1,1-diethyl-3-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]urea
CID 108738416
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
1-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylic acid
CID 58127632
methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate
CID 110481709

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide (CID 110351825) is N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide is CCN(CC)C(=O)NCc1nc(-c2ccc(NC(C)=O)cc2)cs1.
What is the InChIKey of N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is DMWQMOUZBUOAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-21(5-2)17(23)18-10-16-20-15(11-24-16)13-6-8-14(9-7-13)19-12(3)22/h6-9,11H,4-5,10H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 110351825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).