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

C7H5ClN4OS — CID 58357227

IUPACN-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2cnc(Cl)nc2s1
InChIInChI=1S/C7H5ClN4OS/c1-3(13)10-7-11-4-2-9-6(8)12-5(4)14-7/h2H,1H3,(H,10,11,13)
InChIKeyDFRWDPNEJKZMQC-UHFFFAOYSA-N
MW228.66 g/mol
LogP1.70
Rot. Bonds1

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

N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide (PubChem CID 58357227) has the molecular formula C7H5ClN4OS and a molecular weight of 228.66 g/mol. Its IUPAC name is N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide
PubChem CID58357227
Molecular FormulaC7H5ClN4OS
Molecular Weight228.66 g/mol
Exact Mass227.99
IUPAC NameN-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc2cnc(Cl)nc2s1
InChIInChI=1S/C7H5ClN4OS/c1-3(13)10-7-11-4-2-9-6(8)12-5(4)14-7/h2H,1H3,(H,10,11,13)
InChIKeyDFRWDPNEJKZMQC-UHFFFAOYSA-N
XLogP1.70
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamic acid
CID 123964903
[5-[(2-acetamido-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)amino]-4-chloro-2-fluorophenyl]carbamic acid
CID 87446826
N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 168984844
[5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid
CID 123884050
N-[5-(2-phenylpropylsulfanyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide
CID 166339367
N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide
CID 171646338
N-[5-[4-(oxolan-3-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]acetamide
CID 167755754
N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide
CID 44623179
N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354316
N-(4-oxo-3,1-benzothiazin-2-yl)acetamide
CID 2810227
[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-chloro-3-pyridinyl]-carboxycarbamic acid
CID 87557292
N-[6-(5-methylsulfonyl-3-pyridinyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]acetamide
CID 46932541

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide (CID 58357227) is N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide is CC(=O)Nc1nc2cnc(Cl)nc2s1.
What is the InChIKey of N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide?
The InChIKey is DFRWDPNEJKZMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4OS/c1-3(13)10-7-11-4-2-9-6(8)12-5(4)14-7/h2H,1H3,(H,10,11,13).
What are the key properties of N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide?
N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide has a molecular weight of 228.66 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 58357227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).