tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate

C13H23N3O2S — CID 103792918

IUPACtert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate
SMILESCN(CCCNCc1cncs1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)18-12(17)16(4)7-5-6-14-8-11-9-15-10-19-11/h9-10,14H,5-8H2,1-4H3
InChIKeyJLOODHGOYQIWOW-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.49
Rot. Bonds6

About tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate

tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate (PubChem CID 103792918) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate
PubChem CID103792918
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Nametert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate
SMILESCN(CCCNCc1cncs1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)18-12(17)16(4)7-5-6-14-8-11-9-15-10-19-11/h9-10,14H,5-8H2,1-4H3
InChIKeyJLOODHGOYQIWOW-UHFFFAOYSA-N
XLogP2.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate
CID 115732318
tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
CID 103699064
tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate
CID 103647372
tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate
CID 103818744
tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
CID 107242003
tert-butyl 4-[2-(1,3-thiazol-5-ylmethylamino)ethyl]piperazine-1-carboxylate
CID 103792925
tert-butyl N-[3-[(3-methoxy-2-methylpropyl)amino]propyl]-N-methylcarbamate
CID 102672051
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
tert-butyl N-methyl-N-[3-(1-pyridin-3-ylethylamino)propyl]carbamate
CID 103894812
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
N'-(2-methoxyethyl)-N'-methyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62844142
tert-butyl 2-[2-(1,3-thiazol-5-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244411

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate (CID 103792918) is tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate is CN(CCCNCc1cncs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate?
The InChIKey is JLOODHGOYQIWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-13(2,3)18-12(17)16(4)7-5-6-14-8-11-9-15-10-19-11/h9-10,14H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate?
tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate has a molecular weight of 285.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-(1,3-thiazol-5-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 103792918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).