N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide

C17H22N4O2S — CID 75477530

IUPACN-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)NCC(C)c2nc(C)cs2)cc1
InChIInChI=1S/C17H22N4O2S/c1-4-18-15(22)13-5-7-14(8-6-13)21-17(23)19-9-11(2)16-20-12(3)10-24-16/h5-8,10-11H,4,9H2,1-3H3,(H,18,22)(H2,19,21,23)
InChIKeyWLJZHSNJFHRMMC-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.13
Rot. Bonds6

About N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide

N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide (PubChem CID 75477530) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide
PubChem CID75477530
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)NCC(C)c2nc(C)cs2)cc1
InChIInChI=1S/C17H22N4O2S/c1-4-18-15(22)13-5-7-14(8-6-13)21-17(23)19-9-11(2)16-20-12(3)10-24-16/h5-8,10-11H,4,9H2,1-3H3,(H,18,22)(H2,19,21,23)
InChIKeyWLJZHSNJFHRMMC-UHFFFAOYSA-N
XLogP3.13
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
1-(1-tert-butylpyrazol-4-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505131
1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75477535
N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide
CID 75477546
1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505155
N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide
CID 124617062
1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 99840415
1-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-2-oxopyridine-4-carboxamide
CID 118772769
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 75521636
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521277
1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505356

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide?
The IUPAC name of N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide (CID 75477530) is N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide.
What is the SMILES notation for N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide?
The canonical SMILES for N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide is CCNC(=O)c1ccc(NC(=O)NCC(C)c2nc(C)cs2)cc1.
What is the InChIKey of N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide?
The InChIKey is WLJZHSNJFHRMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-18-15(22)13-5-7-14(8-6-13)21-17(23)19-9-11(2)16-20-12(3)10-24-16/h5-8,10-11H,4,9H2,1-3H3,(H,18,22)(H2,19,21,23).
What are the key properties of N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide?
N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide has a molecular weight of 346.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide is sourced from PubChem (CID 75477530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).