2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C18H18N6S — CID 78322128

IUPAC2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESc1nc(Nc2ccc3[nH]ncc3c2)c2nc(C3CCCCC3)sc2n1
InChIInChI=1S/C18H18N6S/c1-2-4-11(5-3-1)17-23-15-16(19-10-20-18(15)25-17)22-13-6-7-14-12(8-13)9-21-24-14/h6-11H,1-5H2,(H,21,24)(H,19,20,22)
InChIKeyZCZORJWUOGQOPQ-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.75
Rot. Bonds3

About 2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 78322128) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID78322128
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESc1nc(Nc2ccc3[nH]ncc3c2)c2nc(C3CCCCC3)sc2n1
InChIInChI=1S/C18H18N6S/c1-2-4-11(5-3-1)17-23-15-16(19-10-20-18(15)25-17)22-13-6-7-14-12(8-13)9-21-24-14/h6-11H,1-5H2,(H,21,24)(H,19,20,22)
InChIKeyZCZORJWUOGQOPQ-UHFFFAOYSA-N
XLogP4.75
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-12-methyl-4-(1H-pyrazol-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093431
Cdk-IN-9
CID 164513408
6-N-imidazol-1-yl-4-N-(1H-indol-5-yl)-6-N-(3-phenylpropyl)thieno[3,2-d]pyrimidine-4,6-diamine
CID 44316744
6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine
CID 44316765
5-(2-aminoethylsulfanyl)-3-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 168269589
(1H-Indol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 9884465
(3-Methyl-1H-indol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382736
[6-(4-Aminomethyl-phenyl)-thieno[3,2-d]pyrimidin-4-yl]-(1H-indol-5-yl)-amine
CID 18382775
(1H-Indazol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382857
N-(1-benzylindazol-5-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 44440815
N2-(4-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44564787
N2-(3-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44565013

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 78322128) is 2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is c1nc(Nc2ccc3[nH]ncc3c2)c2nc(C3CCCCC3)sc2n1.
What is the InChIKey of 2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is ZCZORJWUOGQOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-2-4-11(5-3-1)17-23-15-16(19-10-20-18(15)25-17)22-13-6-7-14-12(8-13)9-21-24-14/h6-11H,1-5H2,(H,21,24)(H,19,20,22).
What are the key properties of 2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 350.45 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 78322128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).