5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

C24H20N8O2S — CID 118067709

IUPAC5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nnnn1Cc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1
InChIInChI=1S/C24H20N8O2S/c1-14-29-30-31-32(14)13-15-6-8-17(9-7-15)22(34)28-23-20(21(25)33)27-24(35-23)26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13H2,1H3,(H2,25,33)(H,26,27)(H,28,34)
InChIKeyNSLPRQHZCSDDQJ-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.73
Rot. Bonds7

About 5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide

5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 118067709) has the molecular formula C24H20N8O2S and a molecular weight of 484.55 g/mol. Its IUPAC name is 5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID118067709
Molecular FormulaC24H20N8O2S
Molecular Weight484.55 g/mol
Exact Mass484.14
IUPAC Name5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nnnn1Cc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1
InChIInChI=1S/C24H20N8O2S/c1-14-29-30-31-32(14)13-15-6-8-17(9-7-15)22(34)28-23-20(21(25)33)27-24(35-23)26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13H2,1H3,(H2,25,33)(H,26,27)(H,28,34)
InChIKeyNSLPRQHZCSDDQJ-UHFFFAOYSA-N
XLogP3.73
TPSA140.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118067712
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-[(2-hydroxyethylamino)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062272
2-(naphthalen-2-ylamino)-5-[[4-[(3-oxopiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 118061973
5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062057
5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90015298
tert-butyl 2-[(3R)-1-[[4-[[4-carbamoyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]carbamoyl]phenyl]methyl]pyrrolidin-3-yl]acetate
CID 160932956
5-[[(Z)-3-chlorobut-2-enoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062264
2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 118062665
5-(5-bromopentanoylamino)-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118061542
2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide
CID 118067696
5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide
CID 46234659

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 118067709) is 5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is Cc1nnnn1Cc1ccc(C(=O)Nc2sc(Nc3ccc4ccccc4c3)nc2C(N)=O)cc1.
What is the InChIKey of 5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is NSLPRQHZCSDDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2S/c1-14-29-30-31-32(14)13-15-6-8-17(9-7-15)22(34)28-23-20(21(25)33)27-24(35-23)26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13H2,1H3,(H2,25,33)(H,26,27)(H,28,34).
What are the key properties of 5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118067709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).