tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate

C14H25N3O2S — CID 107247781

IUPACtert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate
SMILESCc1nc(C)c(CNCC(C)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C14H25N3O2S/c1-9(16-13(18)19-14(4,5)6)7-15-8-12-10(2)17-11(3)20-12/h9,15H,7-8H2,1-6H3,(H,16,18)
InChIKeyQOQCFEHPQNRDEO-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.76
Rot. Bonds5

About tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate

tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate (PubChem CID 107247781) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate
PubChem CID107247781
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Nametert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate
SMILESCc1nc(C)c(CNCC(C)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C14H25N3O2S/c1-9(16-13(18)19-14(4,5)6)7-15-8-12-10(2)17-11(3)20-12/h9,15H,7-8H2,1-6H3,(H,16,18)
InChIKeyQOQCFEHPQNRDEO-UHFFFAOYSA-N
XLogP2.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 178172421
tert-butyl N-[1-[(1-methylbenzimidazol-2-yl)methylamino]propan-2-yl]carbamate
CID 107247403
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N,2,2-trimethylpropanamide
CID 103824241
tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate
CID 130774480
tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate
CID 107253936
tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate
CID 107247978
tert-butyl N-[1-[[3-(difluoromethyl)phenyl]methylamino]propan-2-yl]carbamate
CID 107247607
tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate
CID 107442960
tert-butyl N-[1-(thietan-3-ylamino)propan-2-yl]carbamate
CID 130671790
tert-butyl N-[3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propyl]carbamate
CID 81337805

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate (CID 107247781) is tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate is Cc1nc(C)c(CNCC(C)NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate?
The InChIKey is QOQCFEHPQNRDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-9(16-13(18)19-14(4,5)6)7-15-8-12-10(2)17-11(3)20-12/h9,15H,7-8H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate?
tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate has a molecular weight of 299.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate is sourced from PubChem (CID 107247781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).