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

C24H19N7O2S — CID 118061212

IUPAC5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2cccc3ncccc23)sc1NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C24H19N7O2S/c25-21(32)20-23(30-22(33)16-8-6-15(7-9-16)13-31-12-11-26-14-31)34-24(29-20)28-19-5-1-4-18-17(19)3-2-10-27-18/h1-12,14H,13H2,(H2,25,32)(H,28,29)(H,30,33)
InChIKeyJGPTUBGWBPWAKX-UHFFFAOYSA-N
MW469.53 g/mol
LogP4.03
Rot. Bonds7

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

5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 118061212) has the molecular formula C24H19N7O2S and a molecular weight of 469.53 g/mol. Its IUPAC name is 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID118061212
Molecular FormulaC24H19N7O2S
Molecular Weight469.53 g/mol
Exact Mass469.13
IUPAC Name5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2cccc3ncccc23)sc1NC(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C24H19N7O2S/c25-21(32)20-23(30-22(33)16-8-6-15(7-9-16)13-31-12-11-26-14-31)34-24(29-20)28-19-5-1-4-18-17(19)3-2-10-27-18/h1-12,14H,13H2,(H2,25,32)(H,28,29)(H,30,33)
InChIKeyJGPTUBGWBPWAKX-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 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide (CID 118061212) is 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide is NC(=O)c1nc(Nc2cccc3ncccc23)sc1NC(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is JGPTUBGWBPWAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O2S/c25-21(32)20-23(30-22(33)16-8-6-15(7-9-16)13-31-12-11-26-14-31)34-24(29-20)28-19-5-1-4-18-17(19)3-2-10-27-18/h1-12,14H,13H2,(H2,25,32)(H,28,29)(H,30,33).
What are the key properties of 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide?
5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-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 5-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-2-(quinolin-5-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118061212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).