2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide

C14H11N5OS — CID 141488082

IUPAC2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cncc(-c3ccccc3)n2)cs1
InChIInChI=1S/C14H11N5OS/c15-14-18-11(8-21-14)13(20)19-12-7-16-6-10(17-12)9-4-2-1-3-5-9/h1-8H,(H2,15,18)(H,17,19,20)
InChIKeyLGTKKPSZWQQRFQ-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.43
Rot. Bonds3

About 2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide

2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 141488082) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID141488082
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2cncc(-c3ccccc3)n2)cs1
InChIInChI=1S/C14H11N5OS/c15-14-18-11(8-21-14)13(20)19-12-7-16-6-10(17-12)9-4-2-1-3-5-9/h1-8H,(H2,15,18)(H,17,19,20)
InChIKeyLGTKKPSZWQQRFQ-UHFFFAOYSA-N
XLogP2.43
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide (CID 141488082) is 2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2cncc(-c3ccccc3)n2)cs1.
What is the InChIKey of 2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LGTKKPSZWQQRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c15-14-18-11(8-21-14)13(20)19-12-7-16-6-10(17-12)9-4-2-1-3-5-9/h1-8H,(H2,15,18)(H,17,19,20).
What are the key properties of 2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide?
2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-phenylpyrazin-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 141488082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).