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

C28H27N7O2S — CID 162667143

IUPACN-[(1S)-5-[(3-aminopyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
SMILESNc1cccnc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C28H27N7O2S/c29-21-8-5-13-31-25(21)28(37)32-12-4-3-9-22(35-27(36)24-16-30-17-38-24)26-33-15-23(34-26)20-11-10-18-6-1-2-7-19(18)14-20/h1-2,5-8,10-11,13-17,22H,3-4,9,12,29H2,(H,32,37)(H,33,34)(H,35,36)/t22-/m0/s1
InChIKeyRRRMACAZSMFOKV-QFIPXVFZSA-N
MW525.64 g/mol
LogP4.74
Rot. Bonds10

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

N-[(1S)-5-[(3-aminopyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide (PubChem CID 162667143) has the molecular formula C28H27N7O2S and a molecular weight of 525.64 g/mol. Its IUPAC name is N-[(1S)-5-[(3-aminopyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-5-[(3-aminopyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
PubChem CID162667143
Molecular FormulaC28H27N7O2S
Molecular Weight525.64 g/mol
Exact Mass525.19
IUPAC NameN-[(1S)-5-[(3-aminopyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
SMILESNc1cccnc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C28H27N7O2S/c29-21-8-5-13-31-25(21)28(37)32-12-4-3-9-22(35-27(36)24-16-30-17-38-24)26-33-15-23(34-26)20-11-10-18-6-1-2-7-19(18)14-20/h1-2,5-8,10-11,13-17,22H,3-4,9,12,29H2,(H,32,37)(H,33,34)(H,35,36)/t22-/m0/s1
InChIKeyRRRMACAZSMFOKV-QFIPXVFZSA-N
XLogP4.74
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.64
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-[(3-aminopyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-5-[(3-aminopyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide (CID 162667143) is N-[(1S)-5-[(3-aminopyridine-2-carbonyl)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-[(3-aminopyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-5-[(3-aminopyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide is Nc1cccnc1C(=O)NCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of N-[(1S)-5-[(3-aminopyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RRRMACAZSMFOKV-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H27N7O2S/c29-21-8-5-13-31-25(21)28(37)32-12-4-3-9-22(35-27(36)24-16-30-17-38-24)26-33-15-23(34-26)20-11-10-18-6-1-2-7-19(18)14-20/h1-2,5-8,10-11,13-17,22H,3-4,9,12,29H2,(H,32,37)(H,33,34)(H,35,36)/t22-/m0/s1.
What are the key properties of N-[(1S)-5-[(3-aminopyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?
N-[(1S)-5-[(3-aminopyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide has a molecular weight of 525.64 g/mol, XLogP of 4.74, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-[(3-aminopyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162667143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).