N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C14H21N5O2S — CID 94030514

IUPACN-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C1NCCCC[C@H]1NC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H21N5O2S/c20-12-11(3-1-2-4-15-12)17-13(21)18-6-8-19(9-7-18)14-16-5-10-22-14/h5,10-11H,1-4,6-9H2,(H,15,20)(H,17,21)/t11-/m1/s1
InChIKeyWOOIXUFWKUWJQS-LLVKDONJSA-N
MW323.42 g/mol
LogP0.64
Rot. Bonds2

About N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 94030514) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID94030514
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C1NCCCC[C@H]1NC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H21N5O2S/c20-12-11(3-1-2-4-15-12)17-13(21)18-6-8-19(9-7-18)14-16-5-10-22-14/h5,10-11H,1-4,6-9H2,(H,15,20)(H,17,21)/t11-/m1/s1
InChIKeyWOOIXUFWKUWJQS-LLVKDONJSA-N
XLogP0.64
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 94030514) is N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C1NCCCC[C@H]1NC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is WOOIXUFWKUWJQS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N5O2S/c20-12-11(3-1-2-4-15-12)17-13(21)18-6-8-19(9-7-18)14-16-5-10-22-14/h5,10-11H,1-4,6-9H2,(H,15,20)(H,17,21)/t11-/m1/s1.
What are the key properties of N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxoazepan-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 94030514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).