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

C17H22N4O2S — CID 95311038

IUPACN-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)N[C@H](C)c1nc(C)cs1
InChIInChI=1S/C17H22N4O2S/c1-11-10-24-16(18-11)12(2)19-17(23)20-15-8-6-5-7-14(15)9-21(4)13(3)22/h5-8,10,12H,9H2,1-4H3,(H2,19,20,23)/t12-/m1/s1
InChIKeyUZQMHPQYMNAHME-GFCCVEGCSA-N
MW346.46 g/mol
LogP3.31
Rot. Bonds5

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

N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide (PubChem CID 95311038) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide
PubChem CID95311038
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)N[C@H](C)c1nc(C)cs1
InChIInChI=1S/C17H22N4O2S/c1-11-10-24-16(18-11)12(2)19-17(23)20-15-8-6-5-7-14(15)9-21(4)13(3)22/h5-8,10,12H,9H2,1-4H3,(H2,19,20,23)/t12-/m1/s1
InChIKeyUZQMHPQYMNAHME-GFCCVEGCSA-N
XLogP3.31
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methyl]acetamide
CID 43692128
(2R)-2-[[2-[[acetyl(methyl)amino]methyl]phenyl]carbamoylamino]-N-[(2R)-butan-2-yl]propanamide
CID 94959778
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-6-methylpyridine-2-carboxamide
CID 39277115
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111119603
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
CID 65464216
N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide
CID 115916620
1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 56824401
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide
CID 80543349
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide
CID 43782865
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide (CID 95311038) is N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide is CC(=O)N(C)Cc1ccccc1NC(=O)N[C@H](C)c1nc(C)cs1.
What is the InChIKey of N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide?
The InChIKey is UZQMHPQYMNAHME-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-10-24-16(18-11)12(2)19-17(23)20-15-8-6-5-7-14(15)9-21(4)13(3)22/h5-8,10,12H,9H2,1-4H3,(H2,19,20,23)/t12-/m1/s1.
What are the key properties of N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide?
N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 95311038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).