N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide

C14H21N3O2S — CID 99974343

IUPACN-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1nc([C@H](C)NC(=O)CN2CCCCCC2=O)cs1
InChIInChI=1S/C14H21N3O2S/c1-10(12-9-20-11(2)16-12)15-13(18)8-17-7-5-3-4-6-14(17)19/h9-10H,3-8H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyCZOBNJWNVZFTPR-JTQLQIEISA-N
MW295.41 g/mol
LogP2.03
Rot. Bonds4

About N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide

N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 99974343) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID99974343
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1nc([C@H](C)NC(=O)CN2CCCCCC2=O)cs1
InChIInChI=1S/C14H21N3O2S/c1-10(12-9-20-11(2)16-12)15-13(18)8-17-7-5-3-4-6-14(17)19/h9-10H,3-8H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyCZOBNJWNVZFTPR-JTQLQIEISA-N
XLogP2.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856148
N-[(1R)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 97260837
N-[1-(3-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 47005488
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 136577101
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869918
N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 125164936
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 94107373
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47143924
2-[2-[[2-(2-oxoazepan-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43170606

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide (CID 99974343) is N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide is Cc1nc([C@H](C)NC(=O)CN2CCCCCC2=O)cs1.
What is the InChIKey of N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is CZOBNJWNVZFTPR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(12-9-20-11(2)16-12)15-13(18)8-17-7-5-3-4-6-14(17)19/h9-10H,3-8H2,1-2H3,(H,15,18)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 295.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 99974343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).