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

C15H27N3O3S — CID 106379636

IUPACtert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate
SMILESCC(C)C(CNCc1csc(=O)[nH]1)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O3S/c1-10(2)11(7-17-13(19)21-15(3,4)5)6-16-8-12-9-22-14(20)18-12/h9-11,16H,6-8H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyGYOVOCWJMVVLTI-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.32
Rot. Bonds7

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

tert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate (PubChem CID 106379636) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate
PubChem CID106379636
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Nametert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate
SMILESCC(C)C(CNCc1csc(=O)[nH]1)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O3S/c1-10(2)11(7-17-13(19)21-15(3,4)5)6-16-8-12-9-22-14(20)18-12/h9-11,16H,6-8H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyGYOVOCWJMVVLTI-UHFFFAOYSA-N
XLogP2.32
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

tert-butyl N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]carbamate
CID 103774905
tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propyl]carbamate
CID 106379617
4-[[(3-methoxy-3-methylbutyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379634
tert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate
CID 106379637
tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclobutyl]carbamate
CID 106379968
tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]carbamate
CID 106379988
tert-butyl N-[[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 106379989
tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]cyclohexyl]carbamate
CID 106380222
tert-butyl 3-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 106380306
tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate
CID 106380482
tert-butyl 4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]piperidine-1-carboxylate
CID 106380530
tert-butyl N-[3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propyl]carbamate
CID 106380542

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate (CID 106379636) is tert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate is CC(C)C(CNCc1csc(=O)[nH]1)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate?
The InChIKey is GYOVOCWJMVVLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-10(2)11(7-17-13(19)21-15(3,4)5)6-16-8-12-9-22-14(20)18-12/h9-11,16H,6-8H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate?
tert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate has a molecular weight of 329.47 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]butyl]carbamate is sourced from PubChem (CID 106379636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).