(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid

C6H3ClN4O2S — CID 123964903

IUPAC(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid
SMILESO=C(O)Nc1nc2cnc(Cl)nc2s1
InChIInChI=1S/C6H3ClN4O2S/c7-4-8-1-2-3(10-4)14-5(9-2)11-6(12)13/h1H,(H,9,11)(H,12,13)
InChIKeySTXKIEWALQQASF-UHFFFAOYSA-N
MW230.64 g/mol
LogP1.83
Rot. Bonds1

About (5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid

(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid (PubChem CID 123964903) has the molecular formula C6H3ClN4O2S and a molecular weight of 230.64 g/mol. Its IUPAC name is (5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid
PubChem CID123964903
Molecular FormulaC6H3ClN4O2S
Molecular Weight230.64 g/mol
Exact Mass229.97
IUPAC Name(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid
SMILESO=C(O)Nc1nc2cnc(Cl)nc2s1
InChIInChI=1S/C6H3ClN4O2S/c7-4-8-1-2-3(10-4)14-5(9-2)11-6(12)13/h1H,(H,9,11)(H,12,13)
InChIKeySTXKIEWALQQASF-UHFFFAOYSA-N
XLogP1.83
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.64
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid?
The IUPAC name of (5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid (CID 123964903) is (5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid.
What is the SMILES notation for (5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid?
The canonical SMILES for (5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid is O=C(O)Nc1nc2cnc(Cl)nc2s1.
What is the InChIKey of (5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid?
The InChIKey is STXKIEWALQQASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4O2S/c7-4-8-1-2-3(10-4)14-5(9-2)11-6(12)13/h1H,(H,9,11)(H,12,13).
What are the key properties of (5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid?
(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid has a molecular weight of 230.64 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid is sourced from PubChem (CID 123964903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).