N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide

C14H22N4O2S — CID 95901050

IUPACN-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
SMILESCC(C)(NCC(=O)N[C@H]1CCCCNC1=O)c1nccs1
InChIInChI=1S/C14H22N4O2S/c1-14(2,13-16-7-8-21-13)17-9-11(19)18-10-5-3-4-6-15-12(10)20/h7-8,10,17H,3-6,9H2,1-2H3,(H,15,20)(H,18,19)/t10-/m0/s1
InChIKeyKFCNXXXQLNGWLD-JTQLQIEISA-N
MW310.42 g/mol
LogP0.75
Rot. Bonds5

About N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide

N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide (PubChem CID 95901050) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
PubChem CID95901050
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
SMILESCC(C)(NCC(=O)N[C@H]1CCCCNC1=O)c1nccs1
InChIInChI=1S/C14H22N4O2S/c1-14(2,13-16-7-8-21-13)17-9-11(19)18-10-5-3-4-6-15-12(10)20/h7-8,10,17H,3-6,9H2,1-2H3,(H,15,20)(H,18,19)/t10-/m0/s1
InChIKeyKFCNXXXQLNGWLD-JTQLQIEISA-N
XLogP0.75
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide (CID 95901050) is N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide is CC(C)(NCC(=O)N[C@H]1CCCCNC1=O)c1nccs1.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide?
The InChIKey is KFCNXXXQLNGWLD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-14(2,13-16-7-8-21-13)17-9-11(19)18-10-5-3-4-6-15-12(10)20/h7-8,10,17H,3-6,9H2,1-2H3,(H,15,20)(H,18,19)/t10-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide?
N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide has a molecular weight of 310.42 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide is sourced from PubChem (CID 95901050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).