6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride

C11H16Cl2N4O3S2 — CID 154887578

IUPAC6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CNCCOC1)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H15ClN4O3S2.ClH/c12-9-10(16-2-4-20-11(16)15-9)21(17,18)14-6-8-5-13-1-3-19-7-8;/h2,4,8,13-14H,1,3,5-7H2;1H
InChIKeyKSLQGGCYCKTTJI-UHFFFAOYSA-N
MW387.31 g/mol
LogP0.99
Rot. Bonds4

About 6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride

6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride (PubChem CID 154887578) has the molecular formula C11H16Cl2N4O3S2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride
PubChem CID154887578
Molecular FormulaC11H16Cl2N4O3S2
Molecular Weight387.31 g/mol
Exact Mass386.00
IUPAC Name6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CNCCOC1)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H15ClN4O3S2.ClH/c12-9-10(16-2-4-20-11(16)15-9)21(17,18)14-6-8-5-13-1-3-19-7-8;/h2,4,8,13-14H,1,3,5-7H2;1H
InChIKeyKSLQGGCYCKTTJI-UHFFFAOYSA-N
XLogP0.99
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride?
The IUPAC name of 6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride (CID 154887578) is 6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride?
The canonical SMILES for 6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride is Cl.O=S(=O)(NCC1CNCCOC1)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride?
The InChIKey is KSLQGGCYCKTTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3S2.ClH/c12-9-10(16-2-4-20-11(16)15-9)21(17,18)14-6-8-5-13-1-3-19-7-8;/h2,4,8,13-14H,1,3,5-7H2;1H.
What are the key properties of 6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride?
6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride has a molecular weight of 387.31 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,4-oxazepan-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 154887578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).