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

C15H25N3O3S — CID 106380222

IUPACtert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C15H25N3O3S/c1-15(2,3)21-13(19)17-11-6-4-5-10(7-11)16-8-12-9-22-14(20)18-12/h9-11,16H,4-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyAWGZDQBEJVORPR-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.36
Rot. Bonds4

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

tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclohexyl]carbamate (PubChem CID 106380222) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclohexyl]carbamate
PubChem CID106380222
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Nametert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NCc2csc(=O)[nH]2)C1
InChIInChI=1S/C15H25N3O3S/c1-15(2,3)21-13(19)17-11-6-4-5-10(7-11)16-8-12-9-22-14(20)18-12/h9-11,16H,4-8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyAWGZDQBEJVORPR-UHFFFAOYSA-N
XLogP2.36
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.36
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]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclohexyl]carbamate (CID 106380222) is tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC(NCc2csc(=O)[nH]2)C1.
What is the InChIKey of tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclohexyl]carbamate?
The InChIKey is AWGZDQBEJVORPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-15(2,3)21-13(19)17-11-6-4-5-10(7-11)16-8-12-9-22-14(20)18-12/h9-11,16H,4-8H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclohexyl]carbamate?
tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclohexyl]carbamate has a molecular weight of 327.45 g/mol, XLogP of 2.36, 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]cyclohexyl]carbamate is sourced from PubChem (CID 106380222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).