2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide

C15H11ClN2OS — CID 850573

IUPAC2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H11ClN2OS/c1-9-13(20-15(16)17-9)14(19)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,19)
InChIKeyJUNYYPFCTFDDHR-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.51
Rot. Bonds2

About 2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide

2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 850573) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID850573
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H11ClN2OS/c1-9-13(20-15(16)17-9)14(19)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,19)
InChIKeyJUNYYPFCTFDDHR-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide (CID 850573) is 2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(Cl)sc1C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JUNYYPFCTFDDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-9-13(20-15(16)17-9)14(19)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,19).
What are the key properties of 2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide?
2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 302.79 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 850573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).