N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide

C18H19N3OS — CID 3903218

IUPACN,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C18H19N3OS/c1-3-21(4-2)17(22)16-12-23-18(20-16)19-15-11-7-9-13-8-5-6-10-14(13)15/h5-12H,3-4H2,1-2H3,(H,19,20)
InChIKeyVVGJMVYMOROCKQ-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.52
Rot. Bonds5

About N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide

N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 3903218) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID3903218
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C18H19N3OS/c1-3-21(4-2)17(22)16-12-23-18(20-16)19-15-11-7-9-13-8-5-6-10-14(13)15/h5-12H,3-4H2,1-2H3,(H,19,20)
InChIKeyVVGJMVYMOROCKQ-UHFFFAOYSA-N
XLogP4.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide (CID 3903218) is N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1csc(Nc2cccc3ccccc23)n1.
What is the InChIKey of N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is VVGJMVYMOROCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-3-21(4-2)17(22)16-12-23-18(20-16)19-15-11-7-9-13-8-5-6-10-14(13)15/h5-12H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide?
N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3903218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).