methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate

C14H11N5O4S — CID 121464931

IUPACmethyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1
InChIInChI=1S/C14H11N5O4S/c1-23-14(22)18-12(21)9-3-5-24-13(9)17-11(20)8-6-15-10-2-4-16-19(10)7-8/h2-7H,1H3,(H,17,20)(H,18,21,22)
InChIKeyVRPWHENCUAZXBA-UHFFFAOYSA-N
MW345.34 g/mol
LogP1.54
Rot. Bonds3

About methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate

methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate (PubChem CID 121464931) has the molecular formula C14H11N5O4S and a molecular weight of 345.34 g/mol. Its IUPAC name is methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate
PubChem CID121464931
Molecular FormulaC14H11N5O4S
Molecular Weight345.34 g/mol
Exact Mass345.05
IUPAC Namemethyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1
InChIInChI=1S/C14H11N5O4S/c1-23-14(22)18-12(21)9-3-5-24-13(9)17-11(20)8-6-15-10-2-4-16-19(10)7-8/h2-7H,1H3,(H,17,20)(H,18,21,22)
InChIKeyVRPWHENCUAZXBA-UHFFFAOYSA-N
XLogP1.54
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate?
The IUPAC name of methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate (CID 121464931) is methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate is COC(=O)NC(=O)c1ccsc1NC(=O)c1cnc2ccnn2c1.
What is the InChIKey of methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate?
The InChIKey is VRPWHENCUAZXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O4S/c1-23-14(22)18-12(21)9-3-5-24-13(9)17-11(20)8-6-15-10-2-4-16-19(10)7-8/h2-7H,1H3,(H,17,20)(H,18,21,22).
What are the key properties of methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate?
methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate has a molecular weight of 345.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(pyrazolo[1,5-a]pyrimidine-6-carbonylamino)thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121464931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).