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

C19H18ClN3O2S — CID 66665366

IUPACN-(5-chloro-2-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OC1CCCCC1)c1csc2cncnc12
InChIInChI=1S/C19H18ClN3O2S/c20-12-6-7-16(25-13-4-2-1-3-5-13)15(8-12)23-19(24)14-10-26-17-9-21-11-22-18(14)17/h6-11,13H,1-5H2,(H,23,24)
InChIKeyKHKTUYCFCNBNRN-UHFFFAOYSA-N
MW387.89 g/mol
LogP5.31
Rot. Bonds4

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

N-(5-chloro-2-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 66665366) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-(5-chloro-2-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID66665366
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-(5-chloro-2-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OC1CCCCC1)c1csc2cncnc12
InChIInChI=1S/C19H18ClN3O2S/c20-12-6-7-16(25-13-4-2-1-3-5-13)15(8-12)23-19(24)14-10-26-17-9-21-11-22-18(14)17/h6-11,13H,1-5H2,(H,23,24)
InChIKeyKHKTUYCFCNBNRN-UHFFFAOYSA-N
XLogP5.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.89
LogP ≤ 55.31
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-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(5-chloro-2-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 66665366) is N-(5-chloro-2-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is O=C(Nc1cc(Cl)ccc1OC1CCCCC1)c1csc2cncnc12.
What is the InChIKey of N-(5-chloro-2-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is KHKTUYCFCNBNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-12-6-7-16(25-13-4-2-1-3-5-13)15(8-12)23-19(24)14-10-26-17-9-21-11-22-18(14)17/h6-11,13H,1-5H2,(H,23,24).
What are the key properties of N-(5-chloro-2-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
N-(5-chloro-2-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 387.89 g/mol, XLogP of 5.31, 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-cyclohexyloxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 66665366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).