tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate

C16H19F2N3O2S — CID 139531091

IUPACtert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate
SMILESCc1ncsc1-c1ccc([C@@H](NC(=O)OC(C)(C)C)C(F)F)cn1
InChIInChI=1S/C16H19F2N3O2S/c1-9-13(24-8-20-9)11-6-5-10(7-19-11)12(14(17)18)21-15(22)23-16(2,3)4/h5-8,12,14H,1-4H3,(H,21,22)/t12-/m1/s1
InChIKeySOTUHFTVHLLMQV-GFCCVEGCSA-N
MW355.41 g/mol
LogP4.34
Rot. Bonds4

About tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate

tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate (PubChem CID 139531091) has the molecular formula C16H19F2N3O2S and a molecular weight of 355.41 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate
PubChem CID139531091
Molecular FormulaC16H19F2N3O2S
Molecular Weight355.41 g/mol
Exact Mass355.12
IUPAC Nametert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate
SMILESCc1ncsc1-c1ccc([C@@H](NC(=O)OC(C)(C)C)C(F)F)cn1
InChIInChI=1S/C16H19F2N3O2S/c1-9-13(24-8-20-9)11-6-5-10(7-19-11)12(14(17)18)21-15(22)23-16(2,3)4/h5-8,12,14H,1-4H3,(H,21,22)/t12-/m1/s1
InChIKeySOTUHFTVHLLMQV-GFCCVEGCSA-N
XLogP4.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate (CID 139531091) is tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate is Cc1ncsc1-c1ccc([C@@H](NC(=O)OC(C)(C)C)C(F)F)cn1.
What is the InChIKey of tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate?
The InChIKey is SOTUHFTVHLLMQV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19F2N3O2S/c1-9-13(24-8-20-9)11-6-5-10(7-19-11)12(14(17)18)21-15(22)23-16(2,3)4/h5-8,12,14H,1-4H3,(H,21,22)/t12-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate?
tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate has a molecular weight of 355.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2,2-difluoro-1-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]ethyl]carbamate is sourced from PubChem (CID 139531091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).