tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate

C12H21N3O2S — CID 103389967

IUPACtert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCc1cscn1
InChIInChI=1S/C12H21N3O2S/c1-9(13-6-10-7-18-8-15-10)5-14-11(16)17-12(2,3)4/h7-9,13H,5-6H2,1-4H3,(H,14,16)
InChIKeyCWIFLFVBHDQSTC-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.15
Rot. Bonds5

About tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate

tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate (PubChem CID 103389967) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
PubChem CID103389967
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Nametert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCc1cscn1
InChIInChI=1S/C12H21N3O2S/c1-9(13-6-10-7-18-8-15-10)5-14-11(16)17-12(2,3)4/h7-9,13H,5-6H2,1-4H3,(H,14,16)
InChIKeyCWIFLFVBHDQSTC-UHFFFAOYSA-N
XLogP2.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate
CID 107248411
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526
tert-butyl N-[2-[(4-fluorophenyl)methylamino]propyl]carbamate
CID 103387257
tert-butyl N-[3-methyl-1-oxo-1-[2-(1,3-thiazol-4-yl)ethylamino]pentan-2-yl]carbamate
CID 110422808
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-[(3-chloro-4-methylphenyl)methylamino]propyl]carbamate
CID 107248269
tert-butyl N-[2-(quinolin-4-ylmethylamino)propyl]carbamate
CID 107248566
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 78997840
tert-butyl N-[2-[[4-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
CID 103389858
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid
CID 7020917
tert-butyl N-[2-[[4-(difluoromethyl)phenyl]methylamino]propyl]carbamate
CID 107248199

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate (CID 103389967) is tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCc1cscn1.
What is the InChIKey of tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate?
The InChIKey is CWIFLFVBHDQSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(13-6-10-7-18-8-15-10)5-14-11(16)17-12(2,3)4/h7-9,13H,5-6H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate?
tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate has a molecular weight of 271.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1,3-thiazol-4-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 103389967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).