N-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

C16H10N6S2 — CID 169494213

IUPACN-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1cc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)[nH]n1
InChIInChI=1S/C16H10N6S2/c1-2-13-12(19-8-23-13)5-9(1)21-15-10-6-14(11-3-4-20-22-11)24-16(10)18-7-17-15/h1-8H,(H,20,22)(H,17,18,21)
InChIKeyHAVTWOJXZSFIOV-UHFFFAOYSA-N
MW350.43 g/mol
LogP4.43
Rot. Bonds3

About N-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

N-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 169494213) has the molecular formula C16H10N6S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID169494213
Molecular FormulaC16H10N6S2
Molecular Weight350.43 g/mol
Exact Mass350.04
IUPAC NameN-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1cc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)[nH]n1
InChIInChI=1S/C16H10N6S2/c1-2-13-12(19-8-23-13)5-9(1)21-15-10-6-14(11-3-4-20-22-11)24-16(10)18-7-17-15/h1-8H,(H,20,22)(H,17,18,21)
InChIKeyHAVTWOJXZSFIOV-UHFFFAOYSA-N
XLogP4.43
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 169494213) is N-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is c1cc(-c2cc3c(Nc4ccc5scnc5c4)ncnc3s2)[nH]n1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HAVTWOJXZSFIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6S2/c1-2-13-12(19-8-23-13)5-9(1)21-15-10-6-14(11-3-4-20-22-11)24-16(10)18-7-17-15/h1-8H,(H,20,22)(H,17,18,21).
What are the key properties of N-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
N-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 350.43 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-6-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 169494213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).