N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide

C16H14ClN3O2S — CID 58056178

IUPACN-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCC(C)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C16H14ClN3O2S/c1-9(2)22-13-4-3-10(17)5-12(13)20-16(21)11-7-23-14-6-18-8-19-15(11)14/h3-9H,1-2H3,(H,20,21)
InChIKeyMLIAGIKRWNHSME-UHFFFAOYSA-N
MW347.83 g/mol
LogP4.38
Rot. Bonds4

About N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide

N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056178) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056178
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCC(C)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C16H14ClN3O2S/c1-9(2)22-13-4-3-10(17)5-12(13)20-16(21)11-7-23-14-6-18-8-19-15(11)14/h3-9H,1-2H3,(H,20,21)
InChIKeyMLIAGIKRWNHSME-UHFFFAOYSA-N
XLogP4.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056178) is N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is CC(C)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12.
What is the InChIKey of N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is MLIAGIKRWNHSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-9(2)22-13-4-3-10(17)5-12(13)20-16(21)11-7-23-14-6-18-8-19-15(11)14/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propan-2-yloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).