tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate

C15H27N3O4S — CID 106380121

IUPACtert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCc1csc(=O)[nH]1
InChIInChI=1S/C15H27N3O4S/c1-15(2,3)22-13(19)16-7-5-6-11(9-21-4)17-8-12-10-23-14(20)18-12/h10-11,17H,5-9H2,1-4H3,(H,16,19)(H,18,20)
InChIKeyKXLBNSZHOZEMQT-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.85
Rot. Bonds9

About tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate

tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate (PubChem CID 106380121) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate
PubChem CID106380121
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC Nametert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCc1csc(=O)[nH]1
InChIInChI=1S/C15H27N3O4S/c1-15(2,3)22-13(19)16-7-5-6-11(9-21-4)17-8-12-10-23-14(20)18-12/h10-11,17H,5-9H2,1-4H3,(H,16,19)(H,18,20)
InChIKeyKXLBNSZHOZEMQT-UHFFFAOYSA-N
XLogP1.85
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate
CID 103389416
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-[4-(furan-2-ylmethylamino)-5-methoxypentyl]carbamate
CID 103386932
tert-butyl N-[4-[(2-hydroxy-2-methylpropyl)amino]-5-methoxypentyl]carbamate
CID 103390147
tert-butyl N-[5-methoxy-4-(pent-4-ynylamino)pentyl]carbamate
CID 106220539
tert-butyl N-[5-methoxy-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentyl]carbamate
CID 103389660
tert-butyl N-[5-methoxy-4-(pyridin-2-ylmethylamino)pentyl]carbamate
CID 103387291
tert-butyl N-[5-methoxy-4-(1,2-oxazol-5-ylmethylamino)pentyl]carbamate
CID 106415302
tert-butyl N-[5-methoxy-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pentyl]carbamate
CID 103389364
tert-butyl N-[5-methoxy-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888
tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
CID 103390094
tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
CID 103386966

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate (CID 106380121) is tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NCc1csc(=O)[nH]1.
What is the InChIKey of tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate?
The InChIKey is KXLBNSZHOZEMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-15(2,3)22-13(19)16-7-5-6-11(9-21-4)17-8-12-10-23-14(20)18-12/h10-11,17H,5-9H2,1-4H3,(H,16,19)(H,18,20).
What are the key properties of tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate?
tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate has a molecular weight of 345.47 g/mol, XLogP of 1.85, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methoxy-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate is sourced from PubChem (CID 106380121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).