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

C16H20N4O2S — CID 95311131

IUPACN-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2nc(C)cs2)cc1
InChIInChI=1S/C16H20N4O2S/c1-4-14(21)19-12-5-7-13(8-6-12)20-16(22)18-11(3)15-17-10(2)9-23-15/h5-9,11H,4H2,1-3H3,(H,19,21)(H2,18,20,22)/t11-/m0/s1
InChIKeyBOBXNRDNNHAQDL-NSHDSACASA-N
MW332.43 g/mol
LogP3.68
Rot. Bonds5

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

N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide (PubChem CID 95311131) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
PubChem CID95311131
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2nc(C)cs2)cc1
InChIInChI=1S/C16H20N4O2S/c1-4-14(21)19-12-5-7-13(8-6-12)20-16(22)18-11(3)15-17-10(2)9-23-15/h5-9,11H,4H2,1-3H3,(H,19,21)(H2,18,20,22)/t11-/m0/s1
InChIKeyBOBXNRDNNHAQDL-NSHDSACASA-N
XLogP3.68
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide with MolForge

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Related Compounds

1-[4-(cyclopropylmethylsulfamoyl)phenyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95782917
1-(2-tert-butylpyrimidin-5-yl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95313485
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115609023
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935
1-(3-fluoro-4-pyrazol-1-ylphenyl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95267653
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65224255
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 61341658
N-methyl-N-[[2-[[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]methyl]acetamide
CID 95311038
N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide
CID 75477530
2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 113308289

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide?
The IUPAC name of N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide (CID 95311131) is N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2nc(C)cs2)cc1.
What is the InChIKey of N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide?
The InChIKey is BOBXNRDNNHAQDL-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-4-14(21)19-12-5-7-13(8-6-12)20-16(22)18-11(3)15-17-10(2)9-23-15/h5-9,11H,4H2,1-3H3,(H,19,21)(H2,18,20,22)/t11-/m0/s1.
What are the key properties of N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide?
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide has a molecular weight of 332.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide is sourced from PubChem (CID 95311131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).