N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide

C17H22N4O2S — CID 95968967

IUPACN-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc([C@@H](C)NC(=O)N(C)Cc2nccs2)cc1
InChIInChI=1S/C17H22N4O2S/c1-4-15(22)20-14-7-5-13(6-8-14)12(2)19-17(23)21(3)11-16-18-9-10-24-16/h5-10,12H,4,11H2,1-3H3,(H,19,23)(H,20,22)/t12-/m1/s1
InChIKeyLYULEYBDIUSZKN-GFCCVEGCSA-N
MW346.46 g/mol
LogP3.39
Rot. Bonds6

About N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide

N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide (PubChem CID 95968967) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide
PubChem CID95968967
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc([C@@H](C)NC(=O)N(C)Cc2nccs2)cc1
InChIInChI=1S/C17H22N4O2S/c1-4-15(22)20-14-7-5-13(6-8-14)12(2)19-17(23)21(3)11-16-18-9-10-24-16/h5-10,12H,4,11H2,1-3H3,(H,19,23)(H,20,22)/t12-/m1/s1
InChIKeyLYULEYBDIUSZKN-GFCCVEGCSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-(1,3-thiazol-2-ylmethyl)-3-[(2S)-1,1,1-trifluoropropan-2-yl]urea
CID 164642240
1-methyl-1-(1,3-thiazol-2-ylmethyl)-3-(1,1,1-trifluoropropan-2-yl)urea
CID 131891024
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
3-cyclopropyl-N-[(1S)-1-[4-(propanoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 94817248
N-[4-[(1R)-1-[[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]carbamoyl]amino]ethyl]phenyl]propanamide
CID 95598590
3-[(1S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 95969271
3-[(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 95969272
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
3-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 75375789
3,3-diphenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]propanamide
CID 46468381
3-(4-ethyl-3-nitrophenyl)-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 75375913
1-methyl-3-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]-1-(1,3-thiazol-2-ylmethyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide?
The IUPAC name of N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide (CID 95968967) is N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide?
The canonical SMILES for N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide is CCC(=O)Nc1ccc([C@@H](C)NC(=O)N(C)Cc2nccs2)cc1.
What is the InChIKey of N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide?
The InChIKey is LYULEYBDIUSZKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-15(22)20-14-7-5-13(6-8-14)12(2)19-17(23)21(3)11-16-18-9-10-24-16/h5-10,12H,4,11H2,1-3H3,(H,19,23)(H,20,22)/t12-/m1/s1.
What are the key properties of N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide?
N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide has a molecular weight of 346.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-[[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]amino]ethyl]phenyl]propanamide is sourced from PubChem (CID 95968967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).