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

C16H29N3O3S — CID 103389416

IUPACtert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCc1nc(C)cs1
InChIInChI=1S/C16H29N3O3S/c1-12-11-23-14(19-12)9-18-13(10-21-5)7-6-8-17-15(20)22-16(2,3)4/h11,13,18H,6-10H2,1-5H3,(H,17,20)
InChIKeyFQPAJIVOIYNWGD-UHFFFAOYSA-N
MW343.49 g/mol
LogP2.86
Rot. Bonds9

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

tert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate (PubChem CID 103389416) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate
PubChem CID103389416
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Nametert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCc1nc(C)cs1
InChIInChI=1S/C16H29N3O3S/c1-12-11-23-14(19-12)9-18-13(10-21-5)7-6-8-17-15(20)22-16(2,3)4/h11,13,18H,6-10H2,1-5H3,(H,17,20)
InChIKeyFQPAJIVOIYNWGD-UHFFFAOYSA-N
XLogP2.86
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 52.86
H-Bond Donors ≤ 52
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-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentyl]carbamate
CID 106380121
tert-butyl N-[5-methoxy-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pentyl]carbamate
CID 103389660
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
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-[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-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888
tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
CID 103390094
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
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-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate (CID 103389416) is tert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NCc1nc(C)cs1.
What is the InChIKey of tert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate?
The InChIKey is FQPAJIVOIYNWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-12-11-23-14(19-12)9-18-13(10-21-5)7-6-8-17-15(20)22-16(2,3)4/h11,13,18H,6-10H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate?
tert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate has a molecular weight of 343.49 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methoxy-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentyl]carbamate is sourced from PubChem (CID 103389416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).