2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide

C10H11ClN2O3S2 — CID 43526334

IUPAC2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2cnc(Cl)s2)o1
InChIInChI=1S/C10H11ClN2O3S2/c1-7-3-4-8(16-7)6-13(2)18(14,15)9-5-12-10(11)17-9/h3-5H,6H2,1-2H3
InChIKeyCRSADTHIWHIBPA-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.52
Rot. Bonds4

About 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 43526334) has the molecular formula C10H11ClN2O3S2 and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID43526334
Molecular FormulaC10H11ClN2O3S2
Molecular Weight306.80 g/mol
Exact Mass305.99
IUPAC Name2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2cnc(Cl)s2)o1
InChIInChI=1S/C10H11ClN2O3S2/c1-7-3-4-8(16-7)6-13(2)18(14,15)9-5-12-10(11)17-9/h3-5H,6H2,1-2H3
InChIKeyCRSADTHIWHIBPA-UHFFFAOYSA-N
XLogP2.52
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 43526334) is 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2cnc(Cl)s2)o1.
What is the InChIKey of 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is CRSADTHIWHIBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S2/c1-7-3-4-8(16-7)6-13(2)18(14,15)9-5-12-10(11)17-9/h3-5H,6H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 306.80 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43526334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).