N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine

C12H8N6S — CID 56599805

IUPACN-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESc1cnc(Nc2nc3c(ccc4[nH]ncc43)s2)nc1
InChIInChI=1S/C12H8N6S/c1-4-13-11(14-5-1)17-12-16-10-7-6-15-18-8(7)2-3-9(10)19-12/h1-6H,(H,15,18)(H,13,14,16,17)
InChIKeySIJMRLQFVAOOAP-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.71
Rot. Bonds2

About N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine

N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 56599805) has the molecular formula C12H8N6S and a molecular weight of 268.31 g/mol. Its IUPAC name is N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID56599805
Molecular FormulaC12H8N6S
Molecular Weight268.31 g/mol
Exact Mass268.05
IUPAC NameN-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESc1cnc(Nc2nc3c(ccc4[nH]ncc43)s2)nc1
InChIInChI=1S/C12H8N6S/c1-4-13-11(14-5-1)17-12-16-10-7-6-15-18-8(7)2-3-9(10)19-12/h1-6H,(H,15,18)(H,13,14,16,17)
InChIKeySIJMRLQFVAOOAP-UHFFFAOYSA-N
XLogP2.71
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 56599804
5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 56597311
N-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 25239704
2-(2-pyridin-2-ylethenyl)-7H-pyrazolo[5,4-h]quinoline
CID 71255097
4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 46836788
7H-pyrazolo[5,4-h]quinazoline-2,4-diamine
CID 166549487
methane;1H-pyrazolo[5,4-b]pyridine
CID 167479315
3H-naphtho[2,3-e]indazole
CID 57355763
2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(1H-indazol-4-yl)pyrimidine-2,4-diamine
CID 52948082
2-phenyl-6H-pyrazolo[5,4-g][1,3]benzothiazole
CID 162412475
1,5-dihydropyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 136995246
N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 47470237

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (CID 56599805) is N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is c1cnc(Nc2nc3c(ccc4[nH]ncc43)s2)nc1.
What is the InChIKey of N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is SIJMRLQFVAOOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6S/c1-4-13-11(14-5-1)17-12-16-10-7-6-15-18-8(7)2-3-9(10)19-12/h1-6H,(H,15,18)(H,13,14,16,17).
What are the key properties of N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 268.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 56599805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).