tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate

C13H15N3O2S — CID 130690764

IUPACtert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(-c2ccncc2)s1
InChIInChI=1S/C13H15N3O2S/c1-13(2,3)18-12(17)16-10-8-15-11(19-10)9-4-6-14-7-5-9/h4-8H,1-3H3,(H,16,17)
InChIKeyVOAPYCGRIHBCLC-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.55
Rot. Bonds2

About tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate

tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate (PubChem CID 130690764) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate
PubChem CID130690764
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Nametert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(-c2ccncc2)s1
InChIInChI=1S/C13H15N3O2S/c1-13(2,3)18-12(17)16-10-8-15-11(19-10)9-4-6-14-7-5-9/h4-8H,1-3H3,(H,16,17)
InChIKeyVOAPYCGRIHBCLC-UHFFFAOYSA-N
XLogP3.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
CID 53241957
tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
CID 123401644
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylphenyl]carbamate
CID 58164084
tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate
CID 155271868
tert-butyl N-(4-formyl-5-pyridin-4-yl-2-pyridinyl)carbamate
CID 162625012
tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium
CID 167499959
tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate
CID 131057383
tert-butyl N-[(3R)-4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-3-methyl-4-oxobutyl]carbamate
CID 155271932
tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate
CID 70810298
tert-butyl N-(5-chlorothiophen-2-yl)carbamate
CID 11601095
tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
CID 19871466
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate (CID 130690764) is tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate is CC(C)(C)OC(=O)Nc1cnc(-c2ccncc2)s1.
What is the InChIKey of tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate?
The InChIKey is VOAPYCGRIHBCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-13(2,3)18-12(17)16-10-8-15-11(19-10)9-4-6-14-7-5-9/h4-8H,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate?
tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate has a molecular weight of 277.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 130690764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).