5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

C16H13N5O2S3 — CID 56502944

IUPAC5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)Nc2nnc(-c3ccsc3)s2)o1
InChIInChI=1S/C16H13N5O2S3/c1-21-6-5-17-16(21)25-9-11-2-3-12(23-11)13(22)18-15-20-19-14(26-15)10-4-7-24-8-10/h2-8H,9H2,1H3,(H,18,20,22)
InChIKeyMXBRAFNQFOKGHO-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.14
Rot. Bonds6

About 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 56502944) has the molecular formula C16H13N5O2S3 and a molecular weight of 403.51 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID56502944
Molecular FormulaC16H13N5O2S3
Molecular Weight403.51 g/mol
Exact Mass403.02
IUPAC Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCn1ccnc1SCc1ccc(C(=O)Nc2nnc(-c3ccsc3)s2)o1
InChIInChI=1S/C16H13N5O2S3/c1-21-6-5-17-16(21)25-9-11-2-3-12(23-11)13(22)18-15-20-19-14(26-15)10-4-7-24-8-10/h2-8H,9H2,1H3,(H,18,20,22)
InChIKeyMXBRAFNQFOKGHO-UHFFFAOYSA-N
XLogP4.14
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 112814261
N-(3,5-dimethylphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440363
N-(3,5-dimethoxyphenyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35440333
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35444070
N-(2-hydroxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888106
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[4-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide
CID 75496807
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 55628529
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 51087547
N-(1-hydroxypropan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 110888124
N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 60620776
N'-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78861985
N-(3-methoxypropyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 134060055

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 56502944) is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is Cn1ccnc1SCc1ccc(C(=O)Nc2nnc(-c3ccsc3)s2)o1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is MXBRAFNQFOKGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S3/c1-21-6-5-17-16(21)25-9-11-2-3-12(23-11)13(22)18-15-20-19-14(26-15)10-4-7-24-8-10/h2-8H,9H2,1H3,(H,18,20,22).
What are the key properties of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 56502944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).