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

C24H19N7O2S — CID 118061126

IUPAC2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C24H19N7O2S/c25-21(32)20-23(30-22(33)17-7-5-15(6-8-17)12-31-14-26-13-27-31)34-24(29-20)28-19-10-9-16-3-1-2-4-18(16)11-19/h1-11,13-14H,12H2,(H2,25,32)(H,28,29)(H,30,33)
InChIKeyPHUVJYUVOGXXRV-UHFFFAOYSA-N
MW469.53 g/mol
LogP4.03
Rot. Bonds7

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

2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 118061126) has the molecular formula C24H19N7O2S and a molecular weight of 469.53 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID118061126
Molecular FormulaC24H19N7O2S
Molecular Weight469.53 g/mol
Exact Mass469.13
IUPAC Name2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C24H19N7O2S/c25-21(32)20-23(30-22(33)17-7-5-15(6-8-17)12-31-14-26-13-27-31)34-24(29-20)28-19-10-9-16-3-1-2-4-18(16)11-19/h1-11,13-14H,12H2,(H2,25,32)(H,28,29)(H,30,33)
InChIKeyPHUVJYUVOGXXRV-UHFFFAOYSA-N
XLogP4.03
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (CID 118061126) is 2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is PHUVJYUVOGXXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O2S/c25-21(32)20-23(30-22(33)17-7-5-15(6-8-17)12-31-14-26-13-27-31)34-24(29-20)28-19-10-9-16-3-1-2-4-18(16)11-19/h1-11,13-14H,12H2,(H2,25,32)(H,28,29)(H,30,33).
What are the key properties of 2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 469.53 g/mol, XLogP of 4.03, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)-5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118061126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).