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

C13H10N6S — CID 56599804

IUPACN-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCc1ccnc(Nc2nc3c(ccc4[nH]ncc43)s2)n1
InChIInChI=1S/C13H10N6S/c1-7-4-5-14-12(16-7)18-13-17-11-8-6-15-19-9(8)2-3-10(11)20-13/h2-6H,1H3,(H,15,19)(H,14,16,17,18)
InChIKeyCGMSKPNAJLBCBS-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.01
Rot. Bonds2

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

N-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 56599804) has the molecular formula C13H10N6S and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID56599804
Molecular FormulaC13H10N6S
Molecular Weight282.33 g/mol
Exact Mass282.07
IUPAC NameN-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCc1ccnc(Nc2nc3c(ccc4[nH]ncc43)s2)n1
InChIInChI=1S/C13H10N6S/c1-7-4-5-14-12(16-7)18-13-17-11-8-6-15-19-9(8)2-3-10(11)20-13/h2-6H,1H3,(H,15,19)(H,14,16,17,18)
InChIKeyCGMSKPNAJLBCBS-UHFFFAOYSA-N
XLogP3.01
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 56599805
5-methyl-N-(5-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 56597311
N-(4-methylpyrimidin-2-yl)-9-oxa-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 56646743
(9R)-9-methyl-N-(4-methylpyrimidin-2-yl)-8-oxa-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 56597579
N-(4-methylpyrimidin-2-yl)spiro[8-oxa-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene-9,1'-cyclopropane]-4-amine
CID 163708602
N-(4-methylpyrimidin-2-yl)-5-propyl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 56644071
N-(4-methylpyrimidin-2-yl)-9-(oxetan-3-yl)-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 71666863
N-methyl-4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazole-5-carboxamide
CID 56644914
N-(4-methylpyrimidin-2-yl)-9-(oxan-4-yl)-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 71666867
N-(4-methylpyrimidin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 71549400
2-[5-[4-[2-[(4-methylpyrimidin-2-yl)amino]-1,3-thiazol-4-yl]-1H-pyrazol-5-yl]-3-pyridinyl]propan-2-ol
CID 56644283
N-(2-methoxy-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 66596222

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine (CID 56599804) is N-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is Cc1ccnc(Nc2nc3c(ccc4[nH]ncc43)s2)n1.
What is the InChIKey of N-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is CGMSKPNAJLBCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6S/c1-7-4-5-14-12(16-7)18-13-17-11-8-6-15-19-9(8)2-3-10(11)20-13/h2-6H,1H3,(H,15,19)(H,14,16,17,18).
What are the key properties of N-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine?
N-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 282.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrimidin-2-yl)-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 56599804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).