4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide

C10H11ClN2O2S — CID 82108782

IUPAC4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide
SMILESCc1oc(C(=O)NC2=NCCS2)cc1CCl
InChIInChI=1S/C10H11ClN2O2S/c1-6-7(5-11)4-8(15-6)9(14)13-10-12-2-3-16-10/h4H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyZBFYEBDDBBNLMD-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.16
Rot. Bonds2

About 4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide

4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide (PubChem CID 82108782) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide
PubChem CID82108782
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide
SMILESCc1oc(C(=O)NC2=NCCS2)cc1CCl
InChIInChI=1S/C10H11ClN2O2S/c1-6-7(5-11)4-8(15-6)9(14)13-10-12-2-3-16-10/h4H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyZBFYEBDDBBNLMD-UHFFFAOYSA-N
XLogP2.16
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 82109936
4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide
CID 82109782
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylfuran-3-carboxamide
CID 4063650
methyl 4-(chloromethyl)-5-methylfuran-2-carboxylate
CID 914782
5-(3,4-dichlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 924589
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
4-(chloromethyl)-N-(2-cyanopropan-2-yl)-5-methylfuran-2-carboxamide
CID 82109738
4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 82109127
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4513583
4-(chloromethyl)-5-methyl-N,N-dipropylfuran-2-carboxamide
CID 82109628
N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108524105
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812164

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide?
The IUPAC name of 4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide (CID 82108782) is 4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for 4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide?
The canonical SMILES for 4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide is Cc1oc(C(=O)NC2=NCCS2)cc1CCl.
What is the InChIKey of 4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide?
The InChIKey is ZBFYEBDDBBNLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-6-7(5-11)4-8(15-6)9(14)13-10-12-2-3-16-10/h4H,2-3,5H2,1H3,(H,12,13,14).
What are the key properties of 4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide?
4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide has a molecular weight of 258.73 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 82108782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).