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

C25H20N6O2S — CID 118061480

IUPAC5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C25H20N6O2S/c26-22(32)21-24(30-23(33)18-7-5-16(6-8-18)14-31-12-11-27-15-31)34-25(29-21)28-20-10-9-17-3-1-2-4-19(17)13-20/h1-13,15H,14H2,(H2,26,32)(H,28,29)(H,30,33)
InChIKeyNXJHKJWBSQACCL-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.64
Rot. Bonds7

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

5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 118061480) has the molecular formula C25H20N6O2S and a molecular weight of 468.54 g/mol. Its IUPAC name is 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID118061480
Molecular FormulaC25H20N6O2S
Molecular Weight468.54 g/mol
Exact Mass468.14
IUPAC Name5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C25H20N6O2S/c26-22(32)21-24(30-23(33)18-7-5-16(6-8-18)14-31-12-11-27-15-31)34-25(29-21)28-20-10-9-17-3-1-2-4-19(17)13-20/h1-13,15H,14H2,(H2,26,32)(H,28,29)(H,30,33)
InChIKeyNXJHKJWBSQACCL-UHFFFAOYSA-N
XLogP4.64
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide (CID 118061480) is 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is NXJHKJWBSQACCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2S/c26-22(32)21-24(30-23(33)18-7-5-16(6-8-18)14-31-12-11-27-15-31)34-25(29-21)28-20-10-9-17-3-1-2-4-19(17)13-20/h1-13,15H,14H2,(H2,26,32)(H,28,29)(H,30,33).
What are the key properties of 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide?
5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 468.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118061480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).