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

C24H20N8O2S — CID 118067712

IUPAC5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nnn(Cc2ccc(C(=O)Nc3sc(Nc4ccc5ccccc5c4)nc3C(N)=O)cc2)n1
InChIInChI=1S/C24H20N8O2S/c1-14-29-31-32(30-14)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)
InChIKeyJOHKWRSVZHLVNJ-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.73
Rot. Bonds7

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

5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 118067712) has the molecular formula C24H20N8O2S and a molecular weight of 484.55 g/mol. Its IUPAC name is 5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID118067712
Molecular FormulaC24H20N8O2S
Molecular Weight484.55 g/mol
Exact Mass484.14
IUPAC Name5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nnn(Cc2ccc(C(=O)Nc3sc(Nc4ccc5ccccc5c4)nc3C(N)=O)cc2)n1
InChIInChI=1S/C24H20N8O2S/c1-14-29-31-32(30-14)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)
InChIKeyJOHKWRSVZHLVNJ-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-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 118067712) is 5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is Cc1nnn(Cc2ccc(C(=O)Nc3sc(Nc4ccc5ccccc5c4)nc3C(N)=O)cc2)n1.
What is the InChIKey of 5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is JOHKWRSVZHLVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2S/c1-14-29-31-32(30-14)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-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
5-[[4-[(5-methyltetrazol-2-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-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118067712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).