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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Related Compounds

N-(5-chloro-2-piperidin-4-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 66664971
2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid
CID 67538273
(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
CID 3332616
N-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056378
N-(5-chloro-2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269010
2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 66664716
N-(5-acetyl-2-propan-2-yloxyphenyl)-2-methylpropanamide
CID 82156387
N-(4-chlorophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109358274
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179760
5-chloro-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 103817156
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
N-(4-chloro-2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269082

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).