4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine

C19H15N7S — CID 126962210

IUPAC4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine
SMILESCc1nc2cc(Nc3nccc(Nc4cccc5[nH]ncc45)n3)ccc2s1
InChIInChI=1S/C19H15N7S/c1-11-22-16-9-12(5-6-17(16)27-11)23-19-20-8-7-18(25-19)24-14-3-2-4-15-13(14)10-21-26-15/h2-10H,1H3,(H,21,26)(H2,20,23,24,25)
InChIKeyUNJJPFMKVQSHGV-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.76
Rot. Bonds4

About 4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine

4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 126962210) has the molecular formula C19H15N7S and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine
PubChem CID126962210
Molecular FormulaC19H15N7S
Molecular Weight373.45 g/mol
Exact Mass373.11
IUPAC Name4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine
SMILESCc1nc2cc(Nc3nccc(Nc4cccc5[nH]ncc45)n3)ccc2s1
InChIInChI=1S/C19H15N7S/c1-11-22-16-9-12(5-6-17(16)27-11)23-19-20-8-7-18(25-19)24-14-3-2-4-15-13(14)10-21-26-15/h2-10H,1H3,(H,21,26)(H2,20,23,24,25)
InChIKeyUNJJPFMKVQSHGV-UHFFFAOYSA-N
XLogP4.76
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine (CID 126962210) is 4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine is Cc1nc2cc(Nc3nccc(Nc4cccc5[nH]ncc45)n3)ccc2s1.
What is the InChIKey of 4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is UNJJPFMKVQSHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7S/c1-11-22-16-9-12(5-6-17(16)27-11)23-19-20-8-7-18(25-19)24-14-3-2-4-15-13(14)10-21-26-15/h2-10H,1H3,(H,21,26)(H2,20,23,24,25).
What are the key properties of 4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine?
4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 373.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-4-yl)-2-N-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 126962210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).