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

C21H32N4O3S — CID 4058473

IUPACN-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCC(C)N(CC(=O)Nc1nc(CC(=O)N2CCCC2)cs1)C(=O)C1CCCCC1
InChIInChI=1S/C21H32N4O3S/c1-15(2)25(20(28)16-8-4-3-5-9-16)13-18(26)23-21-22-17(14-29-21)12-19(27)24-10-6-7-11-24/h14-16H,3-13H2,1-2H3,(H,22,23,26)
InChIKeySGDODCSMPNULTQ-UHFFFAOYSA-N
MW420.58 g/mol
LogP3.06
Rot. Bonds7

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

N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide (PubChem CID 4058473) has the molecular formula C21H32N4O3S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide
PubChem CID4058473
Molecular FormulaC21H32N4O3S
Molecular Weight420.58 g/mol
Exact Mass420.22
IUPAC NameN-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCC(C)N(CC(=O)Nc1nc(CC(=O)N2CCCC2)cs1)C(=O)C1CCCCC1
InChIInChI=1S/C21H32N4O3S/c1-15(2)25(20(28)16-8-4-3-5-9-16)13-18(26)23-21-22-17(14-29-21)12-19(27)24-10-6-7-11-24/h14-16H,3-13H2,1-2H3,(H,22,23,26)
InChIKeySGDODCSMPNULTQ-UHFFFAOYSA-N
XLogP3.06
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide (CID 4058473) is N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-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-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide is CC(C)N(CC(=O)Nc1nc(CC(=O)N2CCCC2)cs1)C(=O)C1CCCCC1.
What is the InChIKey of N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide?
The InChIKey is SGDODCSMPNULTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3S/c1-15(2)25(20(28)16-8-4-3-5-9-16)13-18(26)23-21-22-17(14-29-21)12-19(27)24-10-6-7-11-24/h14-16H,3-13H2,1-2H3,(H,22,23,26).
What are the key properties of N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide?
N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide has a molecular weight of 420.58 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 4058473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).