7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

C7H7ClN4S — CID 56766774

IUPAC7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(C)c1nc2ncnc(Cl)c2s1
InChIInChI=1S/C7H7ClN4S/c1-12(2)7-11-6-4(13-7)5(8)9-3-10-6/h3H,1-2H3
InChIKeyAIKPGHHXUAQXPV-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.81
Rot. Bonds1

About 7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (PubChem CID 56766774) has the molecular formula C7H7ClN4S and a molecular weight of 214.68 g/mol. Its IUPAC name is 7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
PubChem CID56766774
Molecular FormulaC7H7ClN4S
Molecular Weight214.68 g/mol
Exact Mass214.01
IUPAC Name7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(C)c1nc2ncnc(Cl)c2s1
InChIInChI=1S/C7H7ClN4S/c1-12(2)7-11-6-4(13-7)5(8)9-3-10-6/h3H,1-2H3
InChIKeyAIKPGHHXUAQXPV-UHFFFAOYSA-N
XLogP1.81
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-Chloro-2-(methylsulfanyl)-(1,3)thiazolo(4,5-d)pyrimidine
CID 14359388
5,7-Dichloro-2-methylthiazolo[4,5-d]pyrimidine
CID 58234952
7-Chloro-(1,3)thiazolo(4,5-d)pyrimidine
CID 76662195
Thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 10953913
5,7-Dichlorothiazolo[4,5-d]pyrimidine
CID 56949542
Thiazolo[4,5-d]pyrimidin-7-amine
CID 69242763
7-Chloro-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidine
CID 178127389
Thiazolo[4,5-d]pyrimidin-7-amine, 2-(methylthio)-
CID 607703
5,7-Dichloro-2-(methylthio)thiazolo[4,5-d]pyrimidine
CID 13021884
7-Chloro-5-methyl-2-(methylthio)thiazolo[4,5-d]pyrimidine
CID 14359389
2,5,7-Trichlorothiazolo[4,5-d]pyrimidine
CID 14505754
7-Amino-2-chlorothiazolo[4,5-d]pyrimidine
CID 14505759

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The IUPAC name of 7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (CID 56766774) is 7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for 7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The canonical SMILES for 7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is CN(C)c1nc2ncnc(Cl)c2s1.
What is the InChIKey of 7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The InChIKey is AIKPGHHXUAQXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4S/c1-12(2)7-11-6-4(13-7)5(8)9-3-10-6/h3H,1-2H3.
What are the key properties of 7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine has a molecular weight of 214.68 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 56766774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).