2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide

C23H18N8O2S — CID 118061494

IUPAC2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C23H18N8O2S/c24-20(32)19-22(27-21(33)15-7-5-13(6-8-15)11-18-28-30-31-29-18)34-23(26-19)25-17-10-9-14-3-1-2-4-16(14)12-17/h1-10,12H,11H2,(H2,24,32)(H,25,26)(H,27,33)(H,28,29,30,31)
InChIKeyLYCJUVASGNNBSC-UHFFFAOYSA-N
MW470.52 g/mol
LogP3.49
Rot. Bonds7

About 2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide

2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 118061494) has the molecular formula C23H18N8O2S and a molecular weight of 470.52 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID118061494
Molecular FormulaC23H18N8O2S
Molecular Weight470.52 g/mol
Exact Mass470.13
IUPAC Name2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C23H18N8O2S/c24-20(32)19-22(27-21(33)15-7-5-13(6-8-15)11-18-28-30-31-29-18)34-23(26-19)25-17-10-9-14-3-1-2-4-16(14)12-17/h1-10,12H,11H2,(H2,24,32)(H,25,26)(H,27,33)(H,28,29,30,31)
InChIKeyLYCJUVASGNNBSC-UHFFFAOYSA-N
XLogP3.49
TPSA151.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (CID 118061494) is 2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cc2nn[nH]n2)cc1.
What is the InChIKey of 2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is LYCJUVASGNNBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O2S/c24-20(32)19-22(27-21(33)15-7-5-13(6-8-15)11-18-28-30-31-29-18)34-23(26-19)25-17-10-9-14-3-1-2-4-16(14)12-17/h1-10,12H,11H2,(H2,24,32)(H,25,26)(H,27,33)(H,28,29,30,31).
What are the key properties of 2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 470.52 g/mol, XLogP of 3.49, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)-5-[[4-(2H-tetrazol-5-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118061494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).