5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide

C17H15N5O2S — CID 42601283

IUPAC5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1nc[nH]c1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C17H15N5O2S/c23-15(21-17-18-6-8-25-17)13-14(20-10-19-13)16(24)22-7-5-11-3-1-2-4-12(11)9-22/h1-4,6,8,10H,5,7,9H2,(H,19,20)(H,18,21,23)
InChIKeyCPICWGTYXBYFQI-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.32
Rot. Bonds3

About 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide

5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide (PubChem CID 42601283) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
PubChem CID42601283
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1nc[nH]c1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C17H15N5O2S/c23-15(21-17-18-6-8-25-17)13-14(20-10-19-13)16(24)22-7-5-11-3-1-2-4-12(11)9-22/h1-4,6,8,10H,5,7,9H2,(H,19,20)(H,18,21,23)
InChIKeyCPICWGTYXBYFQI-UHFFFAOYSA-N
XLogP2.32
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide (CID 42601283) is 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide is O=C(Nc1nccs1)c1nc[nH]c1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide?
The InChIKey is CPICWGTYXBYFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c23-15(21-17-18-6-8-25-17)13-14(20-10-19-13)16(24)22-7-5-11-3-1-2-4-12(11)9-22/h1-4,6,8,10H,5,7,9H2,(H,19,20)(H,18,21,23).
What are the key properties of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide?
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 42601283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).