N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide

C18H13N5OS — CID 24760990

IUPACN-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc2sc(Nc3ccccc3)nc12)c1ccncn1
InChIInChI=1S/C18H13N5OS/c24-17(14-9-10-19-11-20-14)22-13-7-4-8-15-16(13)23-18(25-15)21-12-5-2-1-3-6-12/h1-11H,(H,21,23)(H,22,24)
InChIKeyNAANBTQGTYDXJS-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.08
Rot. Bonds4

About N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide

N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 24760990) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide
PubChem CID24760990
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC NameN-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc2sc(Nc3ccccc3)nc12)c1ccncn1
InChIInChI=1S/C18H13N5OS/c24-17(14-9-10-19-11-20-14)22-13-7-4-8-15-16(13)23-18(25-15)21-12-5-2-1-3-6-12/h1-11H,(H,21,23)(H,22,24)
InChIKeyNAANBTQGTYDXJS-UHFFFAOYSA-N
XLogP4.08
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide (CID 24760990) is N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide is O=C(Nc1cccc2sc(Nc3ccccc3)nc12)c1ccncn1.
What is the InChIKey of N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is NAANBTQGTYDXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c24-17(14-9-10-19-11-20-14)22-13-7-4-8-15-16(13)23-18(25-15)21-12-5-2-1-3-6-12/h1-11H,(H,21,23)(H,22,24).
What are the key properties of N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide?
N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-1,3-benzothiazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 24760990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).