4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

C10H10ClN3O2S — CID 82109936

IUPAC4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(CCl)c(C)o2)s1
InChIInChI=1S/C10H10ClN3O2S/c1-5-7(4-11)3-8(16-5)9(15)12-10-14-13-6(2)17-10/h3H,4H2,1-2H3,(H,12,14,15)
InChIKeySIVOGCKSQJMABW-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.74
Rot. Bonds3

About 4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 82109936) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID82109936
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(CCl)c(C)o2)s1
InChIInChI=1S/C10H10ClN3O2S/c1-5-7(4-11)3-8(16-5)9(15)12-10-14-13-6(2)17-10/h3H,4H2,1-2H3,(H,12,14,15)
InChIKeySIVOGCKSQJMABW-UHFFFAOYSA-N
XLogP2.74
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide
CID 82108782
methyl 4-(chloromethyl)-5-methylfuran-2-carboxylate
CID 914782
4-(chloromethyl)-N-(2-cyanopropan-2-yl)-5-methylfuran-2-carboxamide
CID 82109738
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 19119114
2-(3,4-dimethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18077203
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546952
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
3-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47366067
2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18860950
5-[(4-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42227129

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 82109936) is 4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is Cc1nnc(NC(=O)c2cc(CCl)c(C)o2)s1.
What is the InChIKey of 4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is SIVOGCKSQJMABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-5-7(4-11)3-8(16-5)9(15)12-10-14-13-6(2)17-10/h3H,4H2,1-2H3,(H,12,14,15).
What are the key properties of 4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 271.73 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 82109936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).