tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate

C15H25N3O3S — CID 106379989

IUPACtert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCc1csc(=O)[nH]1
InChIInChI=1S/C15H25N3O3S/c1-15(2,3)21-13(19)17-7-10-5-4-6-12(10)16-8-11-9-22-14(20)18-11/h9-10,12,16H,4-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyYWFZFJVNOMSKJP-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.22
Rot. Bonds5

About tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate (PubChem CID 106379989) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
PubChem CID106379989
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Nametert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCc1csc(=O)[nH]1
InChIInChI=1S/C15H25N3O3S/c1-15(2,3)21-13(19)17-7-10-5-4-6-12(10)16-8-11-9-22-14(20)18-11/h9-10,12,16H,4-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyYWFZFJVNOMSKJP-UHFFFAOYSA-N
XLogP2.22
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate (CID 106379989) is tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NCc1csc(=O)[nH]1.
What is the InChIKey of tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate?
The InChIKey is YWFZFJVNOMSKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-15(2,3)21-13(19)17-7-10-5-4-6-12(10)16-8-11-9-22-14(20)18-11/h9-10,12,16H,4-8H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate has a molecular weight of 327.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 106379989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).