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

C15H20N4O2S — CID 103823852

IUPACtert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
SMILESCc1ncc(CNc2ccc(NC(=O)OC(C)(C)C)nc2)s1
InChIInChI=1S/C15H20N4O2S/c1-10-16-8-12(22-10)9-17-11-5-6-13(18-7-11)19-14(20)21-15(2,3)4/h5-8,17H,9H2,1-4H3,(H,18,19,20)
InChIKeyGKZKVFPRYVCUSE-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.81
Rot. Bonds4

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

tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate (PubChem CID 103823852) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
PubChem CID103823852
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Nametert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
SMILESCc1ncc(CNc2ccc(NC(=O)OC(C)(C)C)nc2)s1
InChIInChI=1S/C15H20N4O2S/c1-10-16-8-12(22-10)9-17-11-5-6-13(18-7-11)19-14(20)21-15(2,3)4/h5-8,17H,9H2,1-4H3,(H,18,19,20)
InChIKeyGKZKVFPRYVCUSE-UHFFFAOYSA-N
XLogP3.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[5-[(5-chlorothiophen-2-yl)methylamino]-2-pyridinyl]carbamate
CID 103823865
4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 60941885
tert-butyl N-[5-[(4,5-dibromofuran-2-yl)methylamino]-2-pyridinyl]carbamate
CID 107243072
tert-butyl N-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-pyridinyl]carbamate
CID 107243135
tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate
CID 103845203
tert-butyl N-[5-[(5-bromo-2-pyridinyl)methylamino]-2-pyridinyl]carbamate
CID 103823822
tert-butyl N-[5-[(2-aminophenyl)methylamino]-2-pyridinyl]carbamate
CID 107243153
tert-butyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
CID 78943314
tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256004
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
CID 113017105
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083
tert-butyl N-[3-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]butyl]carbamate
CID 107442018

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate (CID 103823852) is tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate is Cc1ncc(CNc2ccc(NC(=O)OC(C)(C)C)nc2)s1.
What is the InChIKey of tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate?
The InChIKey is GKZKVFPRYVCUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-16-8-12(22-10)9-17-11-5-6-13(18-7-11)19-14(20)21-15(2,3)4/h5-8,17H,9H2,1-4H3,(H,18,19,20).
What are the key properties of tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate?
tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate has a molecular weight of 320.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate is sourced from PubChem (CID 103823852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).