N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide

C30H28FN5O3S — CID 162671545

IUPACN-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(F)c1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C30H28FN5O3S/c1-39-25-11-6-9-22(31)27(25)30(38)33-14-5-4-10-23(36-29(37)26-17-32-18-40-26)28-34-16-24(35-28)21-13-12-19-7-2-3-8-20(19)15-21/h2-3,6-9,11-13,15-18,23H,4-5,10,14H2,1H3,(H,33,38)(H,34,35)(H,36,37)/t23-/m0/s1
InChIKeyCVDRGHAYCSOQSD-QHCPKHFHSA-N
MW557.65 g/mol
LogP5.91
Rot. Bonds11

About N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide

N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide (PubChem CID 162671545) has the molecular formula C30H28FN5O3S and a molecular weight of 557.65 g/mol. Its IUPAC name is N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
PubChem CID162671545
Molecular FormulaC30H28FN5O3S
Molecular Weight557.65 g/mol
Exact Mass557.19
IUPAC NameN-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(F)c1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C30H28FN5O3S/c1-39-25-11-6-9-22(31)27(25)30(38)33-14-5-4-10-23(36-29(37)26-17-32-18-40-26)28-34-16-24(35-28)21-13-12-19-7-2-3-8-20(19)15-21/h2-3,6-9,11-13,15-18,23H,4-5,10,14H2,1H3,(H,33,38)(H,34,35)(H,36,37)/t23-/m0/s1
InChIKeyCVDRGHAYCSOQSD-QHCPKHFHSA-N
XLogP5.91
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.65
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide (CID 162671545) is N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide is COc1cccc(F)c1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CVDRGHAYCSOQSD-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H28FN5O3S/c1-39-25-11-6-9-22(31)27(25)30(38)33-14-5-4-10-23(36-29(37)26-17-32-18-40-26)28-34-16-24(35-28)21-13-12-19-7-2-3-8-20(19)15-21/h2-3,6-9,11-13,15-18,23H,4-5,10,14H2,1H3,(H,33,38)(H,34,35)(H,36,37)/t23-/m0/s1.
What are the key properties of N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?
N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide has a molecular weight of 557.65 g/mol, XLogP of 5.91, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-[(2-fluoro-6-methoxybenzoyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162671545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).