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

C14H14N6S — CID 46836788

IUPAC4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCC1(C)Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc21
InChIInChI=1S/C14H14N6S/c1-14(2)6-9-8(7-17-20-9)10-11(14)21-13(18-10)19-12-15-4-3-5-16-12/h3-5,7H,6H2,1-2H3,(H,17,20)(H,15,16,18,19)
InChIKeyKQHFYUMFDTZFEE-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.90
Rot. Bonds2

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

4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 46836788) has the molecular formula C14H14N6S and a molecular weight of 298.38 g/mol. Its IUPAC name is 4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID46836788
Molecular FormulaC14H14N6S
Molecular Weight298.38 g/mol
Exact Mass298.10
IUPAC Name4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCC1(C)Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc21
InChIInChI=1S/C14H14N6S/c1-14(2)6-9-8(7-17-20-9)10-11(14)21-13(18-10)19-12-15-4-3-5-16-12/h3-5,7H,6H2,1-2H3,(H,17,20)(H,15,16,18,19)
InChIKeyKQHFYUMFDTZFEE-UHFFFAOYSA-N
XLogP2.90
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine with MolForge

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Related Compounds

N-(5-fluoropyrimidin-2-yl)-4,4-dimethyl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 56597308
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
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-pyrimidin-2-yl-6H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 56599805
(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-(5-fluoro-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 46836566
9-ethyl-N-(5-fluoropyrimidin-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 56643661
N-(4-methylpyrimidin-2-yl)-5-propyl-5,6-dihydro-4H-pyrazolo[4,5-e][1,3]benzothiazol-2-amine
CID 56644071
N-(5-fluoropyrimidin-2-yl)-9-(pyridin-2-ylmethyl)-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 56602969
9-ethyl-N-(5-fluoropyrimidin-2-yl)-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 56603036
N-cyclopentyl-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 46836712
2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine
CID 53327921

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of 4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine (CID 46836788) is 4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for 4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine is CC1(C)Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc21.
What is the InChIKey of 4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is KQHFYUMFDTZFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6S/c1-14(2)6-9-8(7-17-20-9)10-11(14)21-13(18-10)19-12-15-4-3-5-16-12/h3-5,7H,6H2,1-2H3,(H,17,20)(H,15,16,18,19).
What are the key properties of 4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine?
4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 298.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-pyrimidin-2-yl-5,6-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 46836788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).