2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide

C21H17N5O2S — CID 118062665

IUPAC2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)Cc1ccncc1
InChIInChI=1S/C21H17N5O2S/c22-19(28)18-20(25-17(27)11-13-7-9-23-10-8-13)29-21(26-18)24-16-6-5-14-3-1-2-4-15(14)12-16/h1-10,12H,11H2,(H2,22,28)(H,24,26)(H,25,27)
InChIKeyFMHVHCLLEASYCX-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.71
Rot. Bonds6

About 2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide

2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 118062665) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID118062665
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC Name2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)Cc1ccncc1
InChIInChI=1S/C21H17N5O2S/c22-19(28)18-20(25-17(27)11-13-7-9-23-10-8-13)29-21(26-18)24-16-6-5-14-3-1-2-4-15(14)12-16/h1-10,12H,11H2,(H2,22,28)(H,24,26)(H,25,27)
InChIKeyFMHVHCLLEASYCX-UHFFFAOYSA-N
XLogP3.71
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118061542
5-[[(Z)-3-chlorobut-2-enoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062264
5-[[4-[(2-hydroxyethylamino)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062272
5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062057
5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062334
5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118067709
5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90015298
5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118067712
5-[6-(2-hydroxyethylamino)hex-2-ynoylamino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118061310
2-(naphthalen-2-ylamino)-5-[[4-[(3-oxopiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 118061973
2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide
CID 118067696
5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 118062073

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide (CID 118062665) is 2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide is NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)Cc1ccncc1.
What is the InChIKey of 2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is FMHVHCLLEASYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c22-19(28)18-20(25-17(27)11-13-7-9-23-10-8-13)29-21(26-18)24-16-6-5-14-3-1-2-4-15(14)12-16/h1-10,12H,11H2,(H2,22,28)(H,24,26)(H,25,27).
What are the key properties of 2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide?
2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 403.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118062665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).