N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C10H14N4O2S2 — CID 53151866

IUPACN-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1nn2c(S(=O)(=O)NCC3CC3)c(C)nc2s1
InChIInChI=1S/C10H14N4O2S2/c1-6-9(14-10(12-6)17-7(2)13-14)18(15,16)11-5-8-3-4-8/h8,11H,3-5H2,1-2H3
InChIKeyHFVMDWMEOVJYFB-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.10
Rot. Bonds4

About N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53151866) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53151866
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC NameN-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCc1nn2c(S(=O)(=O)NCC3CC3)c(C)nc2s1
InChIInChI=1S/C10H14N4O2S2/c1-6-9(14-10(12-6)17-7(2)13-14)18(15,16)11-5-8-3-4-8/h8,11H,3-5H2,1-2H3
InChIKeyHFVMDWMEOVJYFB-UHFFFAOYSA-N
XLogP1.10
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53151866) is N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is Cc1nn2c(S(=O)(=O)NCC3CC3)c(C)nc2s1.
What is the InChIKey of N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is HFVMDWMEOVJYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-6-9(14-10(12-6)17-7(2)13-14)18(15,16)11-5-8-3-4-8/h8,11H,3-5H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53151866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).