5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

C19H19BrN4O2S — CID 118061542

IUPAC5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)CCCCBr
InChIInChI=1S/C19H19BrN4O2S/c20-10-4-3-7-15(25)23-18-16(17(21)26)24-19(27-18)22-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7,10H2,(H2,21,26)(H,22,24)(H,23,25)
InChIKeyPZJGTYHGUILTKG-UHFFFAOYSA-N
MW447.36 g/mol
LogP4.64
Rot. Bonds8

About 5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 118061542) has the molecular formula C19H19BrN4O2S and a molecular weight of 447.36 g/mol. Its IUPAC name is 5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID118061542
Molecular FormulaC19H19BrN4O2S
Molecular Weight447.36 g/mol
Exact Mass446.04
IUPAC Name5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)CCCCBr
InChIInChI=1S/C19H19BrN4O2S/c20-10-4-3-7-15(25)23-18-16(17(21)26)24-19(27-18)22-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7,10H2,(H2,21,26)(H,22,24)(H,23,25)
InChIKeyPZJGTYHGUILTKG-UHFFFAOYSA-N
XLogP4.64
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 118062665
5-[[(Z)-3-chlorobut-2-enoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062264
5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062057
5-[[4-[(2-hydroxyethylamino)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062272
5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90015298
5-[6-(2-hydroxyethylamino)hex-2-ynoylamino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118061310
5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118067709
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-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118067712
5-(cyclopropanecarbonylamino)-2-[(6-fluoronaphthalen-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 118062073
2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide
CID 118067696
2-(naphthalen-2-ylamino)-5-[[4-[(3-oxopiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 118061973

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 118061542) is 5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)CCCCBr.
What is the InChIKey of 5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is PZJGTYHGUILTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2S/c20-10-4-3-7-15(25)23-18-16(17(21)26)24-19(27-18)22-14-9-8-12-5-1-2-6-13(12)11-14/h1-2,5-6,8-9,11H,3-4,7,10H2,(H2,21,26)(H,22,24)(H,23,25).
What are the key properties of 5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 447.36 g/mol, XLogP of 4.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118061542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).