5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C9H7ClN6S — CID 146645356

IUPAC5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1cc(Nc2nc(Cl)nc3scnc23)n[nH]1
InChIInChI=1S/C9H7ClN6S/c1-4-2-5(16-15-4)12-7-6-8(17-3-11-6)14-9(10)13-7/h2-3H,1H3,(H2,12,13,14,15,16)
InChIKeyBQIGDUWLGBBTNS-UHFFFAOYSA-N
MW266.72 g/mol
LogP2.51
Rot. Bonds2

About 5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 146645356) has the molecular formula C9H7ClN6S and a molecular weight of 266.72 g/mol. Its IUPAC name is 5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID146645356
Molecular FormulaC9H7ClN6S
Molecular Weight266.72 g/mol
Exact Mass266.01
IUPAC Name5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCc1cc(Nc2nc(Cl)nc3scnc23)n[nH]1
InChIInChI=1S/C9H7ClN6S/c1-4-2-5(16-15-4)12-7-6-8(17-3-11-6)14-9(10)13-7/h2-3H,1H3,(H2,12,13,14,15,16)
InChIKeyBQIGDUWLGBBTNS-UHFFFAOYSA-N
XLogP2.51
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 58255169
3-[2,6-dimethyl-4-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]piperidin-1-yl]propanenitrile
CID 146644889
5-chloro-7-methyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 83828889
3-[3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645971
2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 146644992
6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 175880737
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine
CID 87622938
2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
CID 50993882
4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 166774034
4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine
CID 169091811
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,5-dichloropyrimidin-4-amine
CID 87338226
3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine
CID 20626296

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 146645356) is 5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Cc1cc(Nc2nc(Cl)nc3scnc23)n[nH]1.
What is the InChIKey of 5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is BQIGDUWLGBBTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN6S/c1-4-2-5(16-15-4)12-7-6-8(17-3-11-6)14-9(10)13-7/h2-3H,1H3,(H2,12,13,14,15,16).
What are the key properties of 5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 266.72 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 146645356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).