2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide

C16H21N3OS — CID 95903901

IUPAC2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide
SMILESCC[C@@](C)(NCC(=O)Nc1ccccc1)c1nc(C)cs1
InChIInChI=1S/C16H21N3OS/c1-4-16(3,15-18-12(2)11-21-15)17-10-14(20)19-13-8-6-5-7-9-13/h5-9,11,17H,4,10H2,1-3H3,(H,19,20)/t16-/m1/s1
InChIKeyFXRSIYXVMLZFIC-MRXNPFEDSA-N
MW303.43 g/mol
LogP3.31
Rot. Bonds6

About 2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide

2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide (PubChem CID 95903901) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide
PubChem CID95903901
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide
SMILESCC[C@@](C)(NCC(=O)Nc1ccccc1)c1nc(C)cs1
InChIInChI=1S/C16H21N3OS/c1-4-16(3,15-18-12(2)11-21-15)17-10-14(20)19-13-8-6-5-7-9-13/h5-9,11,17H,4,10H2,1-3H3,(H,19,20)/t16-/m1/s1
InChIKeyFXRSIYXVMLZFIC-MRXNPFEDSA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71986453
N-[3-[[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]methyl]phenyl]acetamide
CID 71986458
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 119892020
3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoylamino]benzamide
CID 97025274
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892019
4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 167852626
3-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-ol
CID 95903874
N-(4-fluorophenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propanamide
CID 71986790
1-[3-(methoxymethyl)phenyl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]urea
CID 95981814
3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoyl]benzoic acid
CID 97328440
2,2,2-trifluoro-N-[3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]propyl]acetamide
CID 97095547
3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylsulfamoylmethyl]benzoic acid
CID 138001360

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide?
The IUPAC name of 2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide (CID 95903901) is 2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide is CC[C@@](C)(NCC(=O)Nc1ccccc1)c1nc(C)cs1.
What is the InChIKey of 2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide?
The InChIKey is FXRSIYXVMLZFIC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-16(3,15-18-12(2)11-21-15)17-10-14(20)19-13-8-6-5-7-9-13/h5-9,11,17H,4,10H2,1-3H3,(H,19,20)/t16-/m1/s1.
What are the key properties of 2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide?
2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide has a molecular weight of 303.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]-N-phenylacetamide is sourced from PubChem (CID 95903901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).