N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide

C15H18N4O3S2 — CID 17460426

IUPACN-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide
SMILESO=C(CSc1nnc(NC2CCCCC2)s1)NC(=O)c1ccco1
InChIInChI=1S/C15H18N4O3S2/c20-12(17-13(21)11-7-4-8-22-11)9-23-15-19-18-14(24-15)16-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,16,18)(H,17,20,21)
InChIKeyXHSAQPLECZNXAI-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.92
Rot. Bonds6

About N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide

N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide (PubChem CID 17460426) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide
PubChem CID17460426
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide
SMILESO=C(CSc1nnc(NC2CCCCC2)s1)NC(=O)c1ccco1
InChIInChI=1S/C15H18N4O3S2/c20-12(17-13(21)11-7-4-8-22-11)9-23-15-19-18-14(24-15)16-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,16,18)(H,17,20,21)
InChIKeyXHSAQPLECZNXAI-UHFFFAOYSA-N
XLogP2.92
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]furan-2-carboxamide
CID 41478237
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclopropylacetamide
CID 17402396
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 36540804
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 37135758
N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 18561300
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 40608994
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 36540463
N-(4-tert-butylphenyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2435052
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 27918639
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 26499260
N-benzyl-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 40623501
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)acetamide
CID 9378318

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide (CID 17460426) is N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide is O=C(CSc1nnc(NC2CCCCC2)s1)NC(=O)c1ccco1.
What is the InChIKey of N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide?
The InChIKey is XHSAQPLECZNXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c20-12(17-13(21)11-7-4-8-22-11)9-23-15-19-18-14(24-15)16-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,16,18)(H,17,20,21).
What are the key properties of N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide?
N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]furan-2-carboxamide is sourced from PubChem (CID 17460426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).