thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate

C16H14ClN3O3S — CID 130332193

IUPACthieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate
SMILESCC(C)Oc1ccc(Cl)cc1NC(=O)Oc1csc2cncnc12
InChIInChI=1S/C16H14ClN3O3S/c1-9(2)22-12-4-3-10(17)5-11(12)20-16(21)23-13-7-24-14-6-18-8-19-15(13)14/h3-9H,1-2H3,(H,20,21)
InChIKeyLEYZPIKKLYOSLL-UHFFFAOYSA-N
MW363.83 g/mol
LogP4.74
Rot. Bonds4

About thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate

thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate (PubChem CID 130332193) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate.

Molecular Properties

Compound Namethieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate
PubChem CID130332193
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Namethieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate
SMILESCC(C)Oc1ccc(Cl)cc1NC(=O)Oc1csc2cncnc12
InChIInChI=1S/C16H14ClN3O3S/c1-9(2)22-12-4-3-10(17)5-11(12)20-16(21)23-13-7-24-14-6-18-8-19-15(13)14/h3-9H,1-2H3,(H,20,21)
InChIKeyLEYZPIKKLYOSLL-UHFFFAOYSA-N
XLogP4.74
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate?
The IUPAC name of thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate (CID 130332193) is thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate.
What is the SMILES notation for thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate?
The canonical SMILES for thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate is CC(C)Oc1ccc(Cl)cc1NC(=O)Oc1csc2cncnc12.
What is the InChIKey of thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate?
The InChIKey is LEYZPIKKLYOSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-9(2)22-12-4-3-10(17)5-11(12)20-16(21)23-13-7-24-14-6-18-8-19-15(13)14/h3-9H,1-2H3,(H,20,21).
What are the key properties of thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate?
thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate has a molecular weight of 363.83 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate is sourced from PubChem (CID 130332193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).