[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate

C16H16N4O5S — CID 87284824

IUPAC[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate
SMILESCC(C)(C)OC(=O)Nc1nc(-c2ccc3nc(OC(=O)O)cn3c2)cs1
InChIInChI=1S/C16H16N4O5S/c1-16(2,3)25-14(21)19-13-17-10(8-26-13)9-4-5-11-18-12(24-15(22)23)7-20(11)6-9/h4-8H,1-3H3,(H,22,23)(H,17,19,21)
InChIKeyCFRDGFWEDHGIEY-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.86
Rot. Bonds3

About [6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate

[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate (PubChem CID 87284824) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is [6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate
PubChem CID87284824
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC Name[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate
SMILESCC(C)(C)OC(=O)Nc1nc(-c2ccc3nc(OC(=O)O)cn3c2)cs1
InChIInChI=1S/C16H16N4O5S/c1-16(2,3)25-14(21)19-13-17-10(8-26-13)9-4-5-11-18-12(24-15(22)23)7-20(11)6-9/h4-8H,1-3H3,(H,22,23)(H,17,19,21)
InChIKeyCFRDGFWEDHGIEY-UHFFFAOYSA-N
XLogP3.86
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 163770147
tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate
CID 162743793
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate
CID 89465893
tert-butyl N-[4-(3-amino-4-nitrophenyl)-1,3-thiazol-2-yl]carbamate
CID 59736955
tert-butyl N-[4-[4-[[2-(4-methoxyanilino)acetyl]amino]phenyl]-1,3-thiazol-2-yl]carbamate
CID 87952172
tert-butyl N-[(2S,3R)-1-oxo-3-phenylmethoxy-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]carbamate
CID 2213521
tert-butyl N-[[(5R)-3-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 100685574
tert-butyl N-[4-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 163303165
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate
CID 88716756
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790
tert-butyl N-[2-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]carbamothioylamino]ethyl]carbamate
CID 84560225

Frequently Asked Questions

What is the IUPAC name of [6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate?
The IUPAC name of [6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate (CID 87284824) is [6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate.
What is the SMILES notation for [6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate?
The canonical SMILES for [6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate is CC(C)(C)OC(=O)Nc1nc(-c2ccc3nc(OC(=O)O)cn3c2)cs1.
What is the InChIKey of [6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate?
The InChIKey is CFRDGFWEDHGIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S/c1-16(2,3)25-14(21)19-13-17-10(8-26-13)9-4-5-11-18-12(24-15(22)23)7-20(11)6-9/h4-8H,1-3H3,(H,22,23)(H,17,19,21).
What are the key properties of [6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate?
[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate has a molecular weight of 376.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridin-2-yl] hydrogen carbonate is sourced from PubChem (CID 87284824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).