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

C18H16ClN3O3S — CID 58056205

IUPACN-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OC1CCC(O)C1)c1csc2cncnc12
InChIInChI=1S/C18H16ClN3O3S/c19-10-1-4-15(25-12-3-2-11(23)6-12)14(5-10)22-18(24)13-8-26-16-7-20-9-21-17(13)16/h1,4-5,7-9,11-12,23H,2-3,6H2,(H,22,24)
InChIKeySBMGQZZTSUJQHO-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.89
Rot. Bonds4

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

N-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056205) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is N-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056205
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC NameN-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OC1CCC(O)C1)c1csc2cncnc12
InChIInChI=1S/C18H16ClN3O3S/c19-10-1-4-15(25-12-3-2-11(23)6-12)14(5-10)22-18(24)13-8-26-16-7-20-9-21-17(13)16/h1,4-5,7-9,11-12,23H,2-3,6H2,(H,22,24)
InChIKeySBMGQZZTSUJQHO-UHFFFAOYSA-N
XLogP3.89
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056205) is N-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide is O=C(Nc1cc(Cl)ccc1OC1CCC(O)C1)c1csc2cncnc12.
What is the InChIKey of N-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is SBMGQZZTSUJQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c19-10-1-4-15(25-12-3-2-11(23)6-12)14(5-10)22-18(24)13-8-26-16-7-20-9-21-17(13)16/h1,4-5,7-9,11-12,23H,2-3,6H2,(H,22,24).
What are the key properties of N-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-hydroxycyclopentyl)oxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).