methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate

C17H24N2O3S — CID 86783848

IUPACmethyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1C(=O)NC1(c2nc(C)cs2)CCCC1
InChIInChI=1S/C17H24N2O3S/c1-11-10-23-16(18-11)17(8-3-4-9-17)19-14(20)12-6-5-7-13(12)15(21)22-2/h10,12-13H,3-9H2,1-2H3,(H,19,20)
InChIKeyKJCYCIVSPPPQSY-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.93
Rot. Bonds4

About methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate

methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate (PubChem CID 86783848) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate
PubChem CID86783848
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Namemethyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1C(=O)NC1(c2nc(C)cs2)CCCC1
InChIInChI=1S/C17H24N2O3S/c1-11-10-23-16(18-11)17(8-3-4-9-17)19-14(20)12-6-5-7-13(12)15(21)22-2/h10,12-13H,3-9H2,1-2H3,(H,19,20)
InChIKeyKJCYCIVSPPPQSY-UHFFFAOYSA-N
XLogP2.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate (CID 86783848) is methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1C(=O)NC1(c2nc(C)cs2)CCCC1.
What is the InChIKey of methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate?
The InChIKey is KJCYCIVSPPPQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-11-10-23-16(18-11)17(8-3-4-9-17)19-14(20)12-6-5-7-13(12)15(21)22-2/h10,12-13H,3-9H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate?
methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate has a molecular weight of 336.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]carbamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 86783848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).