N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide

C12H14N2O3S2 — CID 121123926

IUPACN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide
SMILESCc1nc(-c2ccco2)sc1CNS(=O)(=O)C1CC1
InChIInChI=1S/C12H14N2O3S2/c1-8-11(7-13-19(15,16)9-4-5-9)18-12(14-8)10-3-2-6-17-10/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeyPUFAISHPAUNNBH-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.29
Rot. Bonds5

About N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide (PubChem CID 121123926) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide
PubChem CID121123926
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC NameN-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide
SMILESCc1nc(-c2ccco2)sc1CNS(=O)(=O)C1CC1
InChIInChI=1S/C12H14N2O3S2/c1-8-11(7-13-19(15,16)9-4-5-9)18-12(14-8)10-3-2-6-17-10/h2-3,6,9,13H,4-5,7H2,1H3
InChIKeyPUFAISHPAUNNBH-UHFFFAOYSA-N
XLogP2.29
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclohexanesulfonamide
CID 121123943
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121123854
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121123889
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanecarboxamide
CID 121123450
4-ethoxy-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121123866
4-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbenzenesulfonamide
CID 121123906
5-(bromomethyl)-2-(furan-2-yl)-4-methyl-1,3-thiazole
CID 82427297
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 121123734
2-(2-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123607

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide (CID 121123926) is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide is Cc1nc(-c2ccco2)sc1CNS(=O)(=O)C1CC1.
What is the InChIKey of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide?
The InChIKey is PUFAISHPAUNNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-8-11(7-13-19(15,16)9-4-5-9)18-12(14-8)10-3-2-6-17-10/h2-3,6,9,13H,4-5,7H2,1H3.
What are the key properties of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide?
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 121123926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).