N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide

C23H37N5O3S — CID 1030081

IUPACN-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCC(C)N(CC(=O)Nc1nc(CC(=O)NCCN2CCCC2)cs1)C(=O)C1CCCCC1
InChIInChI=1S/C23H37N5O3S/c1-17(2)28(22(31)18-8-4-3-5-9-18)15-21(30)26-23-25-19(16-32-23)14-20(29)24-10-13-27-11-6-7-12-27/h16-18H,3-15H2,1-2H3,(H,24,29)(H,25,26,30)
InChIKeyUTTIEZDWSBROCM-UHFFFAOYSA-N
MW463.65 g/mol
LogP2.65
Rot. Bonds10

About N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide

N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide (PubChem CID 1030081) has the molecular formula C23H37N5O3S and a molecular weight of 463.65 g/mol. Its IUPAC name is N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide
PubChem CID1030081
Molecular FormulaC23H37N5O3S
Molecular Weight463.65 g/mol
Exact Mass463.26
IUPAC NameN-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCC(C)N(CC(=O)Nc1nc(CC(=O)NCCN2CCCC2)cs1)C(=O)C1CCCCC1
InChIInChI=1S/C23H37N5O3S/c1-17(2)28(22(31)18-8-4-3-5-9-18)15-21(30)26-23-25-19(16-32-23)14-20(29)24-10-13-27-11-6-7-12-27/h16-18H,3-15H2,1-2H3,(H,24,29)(H,25,26,30)
InChIKeyUTTIEZDWSBROCM-UHFFFAOYSA-N
XLogP2.65
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.65
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide with MolForge

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Related Compounds

CID 45261043
CID 45261043
CID 16188477
CID 16188477
CID 16472969
CID 16472969
CID 16188552
CID 16188552
CID 17540966
CID 17540966
CID 110258692
CID 110258692
CID 18568228
CID 18568228
CID 41211604
CID 41211604
CID 42590173
CID 42590173
CID 44016029
CID 44016029
CID 44048823
CID 44048823
CID 45497603
CID 45497603

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide (CID 1030081) is N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide is CC(C)N(CC(=O)Nc1nc(CC(=O)NCCN2CCCC2)cs1)C(=O)C1CCCCC1.
What is the InChIKey of N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide?
The InChIKey is UTTIEZDWSBROCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O3S/c1-17(2)28(22(31)18-8-4-3-5-9-18)15-21(30)26-23-25-19(16-32-23)14-20(29)24-10-13-27-11-6-7-12-27/h16-18H,3-15H2,1-2H3,(H,24,29)(H,25,26,30).
What are the key properties of N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide?
N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide has a molecular weight of 463.65 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 1030081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).