3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide

C17H22N4O2S — CID 71865083

IUPAC3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
SMILESCCc1cnc(CN(C)C(=O)Nc2cccc(C(=O)N(C)C)c2)s1
InChIInChI=1S/C17H22N4O2S/c1-5-14-10-18-15(24-14)11-21(4)17(23)19-13-8-6-7-12(9-13)16(22)20(2)3/h6-10H,5,11H2,1-4H3,(H,19,23)
InChIKeyBRQVQTBSEYTYNW-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.07
Rot. Bonds5

About 3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide

3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide (PubChem CID 71865083) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
PubChem CID71865083
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
SMILESCCc1cnc(CN(C)C(=O)Nc2cccc(C(=O)N(C)C)c2)s1
InChIInChI=1S/C17H22N4O2S/c1-5-14-10-18-15(24-14)11-21(4)17(23)19-13-8-6-7-12(9-13)16(22)20(2)3/h6-10H,5,11H2,1-4H3,(H,19,23)
InChIKeyBRQVQTBSEYTYNW-UHFFFAOYSA-N
XLogP3.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
CID 55698318
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]-1-methylurea
CID 71864840
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(4-prop-2-ynoxyphenyl)urea
CID 71981543
4-[[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 122020351
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 126788756
N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide
CID 55816812
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 71865035
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
6-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918042
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981686
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide
CID 75504863

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide (CID 71865083) is 3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide is CCc1cnc(CN(C)C(=O)Nc2cccc(C(=O)N(C)C)c2)s1.
What is the InChIKey of 3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is BRQVQTBSEYTYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-5-14-10-18-15(24-14)11-21(4)17(23)19-13-8-6-7-12(9-13)16(22)20(2)3/h6-10H,5,11H2,1-4H3,(H,19,23).
What are the key properties of 3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide?
3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 346.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 71865083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).