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

C14H23N3O3S — CID 106379988

IUPACtert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)20-12(18)16-10-5-4-9(6-10)15-7-11-8-21-13(19)17-11/h8-10,15H,4-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyQQRYXMWVKDCSOM-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.97
Rot. Bonds4

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

tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate (PubChem CID 106379988) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate
PubChem CID106379988
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Nametert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C14H23N3O3S/c1-14(2,3)20-12(18)16-10-5-4-9(6-10)15-7-11-8-21-13(19)17-11/h8-10,15H,4-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyQQRYXMWVKDCSOM-UHFFFAOYSA-N
XLogP1.97
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate (CID 106379988) is tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCc2csc(=O)[nH]2)C1.
What is the InChIKey of tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate?
The InChIKey is QQRYXMWVKDCSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2,3)20-12(18)16-10-5-4-9(6-10)15-7-11-8-21-13(19)17-11/h8-10,15H,4-7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate?
tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate has a molecular weight of 313.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 106379988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).