N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide

C12H7ClN4OS — CID 59011969

IUPACN-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc2c(Cl)ncnc2s1)c1ccccc1
InChIInChI=1S/C12H7ClN4OS/c13-9-8-11(15-6-14-9)19-12(16-8)17-10(18)7-4-2-1-3-5-7/h1-6H,(H,16,17,18)
InChIKeyUMGRVNKOCAXERC-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.99
Rot. Bonds2

About N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide

N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide (PubChem CID 59011969) has the molecular formula C12H7ClN4OS and a molecular weight of 290.74 g/mol. Its IUPAC name is N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide
PubChem CID59011969
Molecular FormulaC12H7ClN4OS
Molecular Weight290.74 g/mol
Exact Mass290.00
IUPAC NameN-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc2c(Cl)ncnc2s1)c1ccccc1
InChIInChI=1S/C12H7ClN4OS/c13-9-8-11(15-6-14-9)19-12(16-8)17-10(18)7-4-2-1-3-5-7/h1-6H,(H,16,17,18)
InChIKeyUMGRVNKOCAXERC-UHFFFAOYSA-N
XLogP2.99
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide?
The IUPAC name of N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide (CID 59011969) is N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide.
What is the SMILES notation for N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide?
The canonical SMILES for N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide is O=C(Nc1nc2c(Cl)ncnc2s1)c1ccccc1.
What is the InChIKey of N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide?
The InChIKey is UMGRVNKOCAXERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4OS/c13-9-8-11(15-6-14-9)19-12(16-8)17-10(18)7-4-2-1-3-5-7/h1-6H,(H,16,17,18).
What are the key properties of N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide?
N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide has a molecular weight of 290.74 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 59011969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).