4-amino-2-anilino-1,3-thiazole-5-carboxamide

C10H10N4OS — CID 13349420

IUPAC4-amino-2-anilino-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(Nc2ccccc2)nc1N
InChIInChI=1S/C10H10N4OS/c11-8-7(9(12)15)16-10(14-8)13-6-4-2-1-3-5-6/h1-5H,11H2,(H2,12,15)(H,13,14)
InChIKeyNLHYHLPSUOFMHW-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.57
Rot. Bonds3

About 4-amino-2-anilino-1,3-thiazole-5-carboxamide

4-amino-2-anilino-1,3-thiazole-5-carboxamide (PubChem CID 13349420) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-amino-2-anilino-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-anilino-1,3-thiazole-5-carboxamide
PubChem CID13349420
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name4-amino-2-anilino-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(Nc2ccccc2)nc1N
InChIInChI=1S/C10H10N4OS/c11-8-7(9(12)15)16-10(14-8)13-6-4-2-1-3-5-6/h1-5H,11H2,(H2,12,15)(H,13,14)
InChIKeyNLHYHLPSUOFMHW-UHFFFAOYSA-N
XLogP1.57
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-anilino-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-anilino-1,3-thiazole-5-carboxamide (CID 13349420) is 4-amino-2-anilino-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-anilino-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-anilino-1,3-thiazole-5-carboxamide is NC(=O)c1sc(Nc2ccccc2)nc1N.
What is the InChIKey of 4-amino-2-anilino-1,3-thiazole-5-carboxamide?
The InChIKey is NLHYHLPSUOFMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-8-7(9(12)15)16-10(14-8)13-6-4-2-1-3-5-6/h1-5H,11H2,(H2,12,15)(H,13,14).
What are the key properties of 4-amino-2-anilino-1,3-thiazole-5-carboxamide?
4-amino-2-anilino-1,3-thiazole-5-carboxamide has a molecular weight of 234.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-anilino-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 13349420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).