tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate

C19H27N3O2S — CID 142656048

IUPACtert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate
SMILESCC(C)c1csc(CCCN(C(=O)OC(C)(C)C)c2ccccn2)n1
InChIInChI=1S/C19H27N3O2S/c1-14(2)15-13-25-17(21-15)10-8-12-22(16-9-6-7-11-20-16)18(23)24-19(3,4)5/h6-7,9,11,13-14H,8,10,12H2,1-5H3
InChIKeySSIBJEXAWYUPEH-UHFFFAOYSA-N
MW361.51 g/mol
LogP5.04
Rot. Bonds6

About tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate

tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate (PubChem CID 142656048) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate
PubChem CID142656048
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Nametert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate
SMILESCC(C)c1csc(CCCN(C(=O)OC(C)(C)C)c2ccccn2)n1
InChIInChI=1S/C19H27N3O2S/c1-14(2)15-13-25-17(21-15)10-8-12-22(16-9-6-7-11-20-16)18(23)24-19(3,4)5/h6-7,9,11,13-14H,8,10,12H2,1-5H3
InChIKeySSIBJEXAWYUPEH-UHFFFAOYSA-N
XLogP5.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(5-oxohexyl)-N-pyridin-2-ylcarbamate
CID 123588396
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
[5-[4-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]butyl]-1,3,4-thiadiazol-2-yl] formate
CID 57057466
3-[3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propyl]-2H-indazole-5-carboxylic acid
CID 67660697
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate
CID 58230695
3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoylcarbamoyl hydrogen carbonate
CID 22594305
2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propanoic acid
CID 23450228
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]propoxy]phenyl]propanoate
CID 59665383
4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968635
tert-butyl N-[6-(2-azidoethyl)-2-pyridinyl]-N-(2-pyridin-2-ylethyl)carbamate
CID 58230701
methyl 3-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonyl-pyridin-2-ylamino]ethoxy]benzoate
CID 54123993
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-N-phenylcarbamate
CID 67539980

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate?
The IUPAC name of tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate (CID 142656048) is tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate is CC(C)c1csc(CCCN(C(=O)OC(C)(C)C)c2ccccn2)n1.
What is the InChIKey of tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate?
The InChIKey is SSIBJEXAWYUPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-14(2)15-13-25-17(21-15)10-8-12-22(16-9-6-7-11-20-16)18(23)24-19(3,4)5/h6-7,9,11,13-14H,8,10,12H2,1-5H3.
What are the key properties of tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate?
tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate has a molecular weight of 361.51 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-propan-2-yl-1,3-thiazol-2-yl)propyl]-N-pyridin-2-ylcarbamate is sourced from PubChem (CID 142656048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).