N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide

C15H17N5O3S2 — CID 43836602

IUPACN-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCc1nc(NC(=O)C2=NCCN2)sc1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H17N5O3S2/c1-9-12(8-10-2-4-11(5-3-10)25(16,22)23)24-15(19-9)20-14(21)13-17-6-7-18-13/h2-5H,6-8H2,1H3,(H,17,18)(H2,16,22,23)(H,19,20,21)
InChIKeyKBNFAOFFLKZMBB-UHFFFAOYSA-N
MW379.47 g/mol
LogP0.63
Rot. Bonds5

About N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide

N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 43836602) has the molecular formula C15H17N5O3S2 and a molecular weight of 379.47 g/mol. Its IUPAC name is N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID43836602
Molecular FormulaC15H17N5O3S2
Molecular Weight379.47 g/mol
Exact Mass379.08
IUPAC NameN-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCc1nc(NC(=O)C2=NCCN2)sc1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H17N5O3S2/c1-9-12(8-10-2-4-11(5-3-10)25(16,22)23)24-15(19-9)20-14(21)13-17-6-7-18-13/h2-5H,6-8H2,1H3,(H,17,18)(H2,16,22,23)(H,19,20,21)
InChIKeyKBNFAOFFLKZMBB-UHFFFAOYSA-N
XLogP0.63
TPSA126.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 43836602) is N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide is Cc1nc(NC(=O)C2=NCCN2)sc1Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is KBNFAOFFLKZMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S2/c1-9-12(8-10-2-4-11(5-3-10)25(16,22)23)24-15(19-9)20-14(21)13-17-6-7-18-13/h2-5H,6-8H2,1H3,(H,17,18)(H2,16,22,23)(H,19,20,21).
What are the key properties of N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide?
N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 379.47 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 43836602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).